Mathematical and experimental modelling of the dynamic bubble processes occurring in a two-phase cyclonic separation device

NASA Astrophysics Data System (ADS)

Schrage, Dean Stewart

1998-11-01

This dissertation presents a combined mathematical and experimental analysis of the fluid dynamics of a gas- liquid, dispersed-phase cyclonic separation device. The global objective of this research is to develop a simulation model of separation process in order to predict the void fraction field within a cyclonic separation device. The separation process is approximated by analyzing the dynamic motion of many single-bubbles, moving under the influence of the far-field, interacting with physical boundaries and other bubbles. The dynamic motion of the bubble is described by treating the bubble as a point-mass and writing an inertial force balance, equating the force applied to the bubble-point-location to the inertial acceleration of the bubble mass (also applied to the point-location). The forces which are applied to the bubble are determined by an integration of the surface pressure over the bubble. The surface pressure is coupled to the intrinsic motion of the bubble, and is very difficult to obtain exactly. However, under moderate Reynolds number, the wake trailing a bubble is small and the near-field flow field can be approximated as an inviscid flow field. Unconventional potential flow techniques are employed to solve for the surface pressure; the hydrodyamic forces are described as a hydrodynamic mass tensor operating on the bubble acceleration vector. The inviscid flow model is augmented with adjunct forces which describe: drag forces, dynamic lift, far-field pressure forces. The dynamic equations of motion are solved both analytically and numerically for the bubble trajectory in specific flow field examples. A validation of these equations is performed by comparing to an experimentally-derived trajectory of a single- bubble, which is released into a cylindrical Couette flow field (inner cylinder rotating) at varying positions. Finally, a simulation of a cyclonic separation device is performed by extending the single-bubble dynamic model to a multi-bubble ensemble. A simplified model is developed to predict the effects of bubble-interaction. The simulation qualitatively depicts the separation physics encountered in an actual cyclonic separation device, supporting the original tenet that the separation process can be approximated by the collective motions of single- bubbles.

Optimized molecular dynamics force fields applied to the helix-coil transition of polypeptides.

PubMed

Best, Robert B; Hummer, Gerhard

2009-07-02

Obtaining the correct balance of secondary structure propensities is a central priority in protein force-field development. Given that current force fields differ significantly in their alpha-helical propensities, a correction to match experimental results would be highly desirable. We have determined simple backbone energy corrections for two force fields to reproduce the fraction of helix measured in short peptides at 300 K. As validation, we show that the optimized force fields produce results in excellent agreement with nuclear magnetic resonance experiments for folded proteins and short peptides not used in the optimization. However, despite the agreement at ambient conditions, the dependence of the helix content on temperature is too weak, a problem shared with other force fields. A fit of the Lifson-Roig helix-coil theory shows that both the enthalpy and entropy of helix formation are too small: the helix extension parameter w agrees well with experiment, but its entropic and enthalpic components are both only about half the respective experimental estimates. Our structural and thermodynamic analyses point toward the physical origins of these shortcomings in current force fields, and suggest ways to address them in future force-field development.

Dynamic analysis of a hollow cylinder subject to a dual traveling force imposed on its inner surface

NASA Astrophysics Data System (ADS)

Lee, Sooyoung; Seok, Jongwon

2015-03-01

The dynamic behavior of a hollow cylinder under a dual traveling force applied to the inner surface is investigated in this study. The cylinder is constrained at both the top and bottom surfaces not to move in the length direction but free in other directions. And a dual force travels at a constant velocity along the length direction on the inner surface of the hollow cylinder. The resulting governing field equations and the associated boundary conditions are ruled by the general Hooke's law. Due to the nature of the field equations, proper adjoint system of equations and biorthogonality conditions were derived in a precise and detailed manner. To solve these field equations in this study, the method of separation of variable is used and the method of Fro¨benius is employed for the differential equations in the radial direction. Using the field equations, the eigenanalyses on both the original and its adjoint system were performed with great care, which results in the eigenfunction sets of both systems. The biorthogonality conditions were applied to the field equations to obtain the discretized equation for each mode. Using the solutions of the discretized equations that account for the boundary forcing terms, the critical speed for a dual traveling force for each mode could be computed.

Lipid14: The Amber Lipid Force Field

PubMed Central

2015-01-01

The AMBER lipid force field has been updated to create Lipid14, allowing tensionless simulation of a number of lipid types with the AMBER MD package. The modular nature of this force field allows numerous combinations of head and tail groups to create different lipid types, enabling the easy insertion of new lipid species. The Lennard-Jones and torsion parameters of both the head and tail groups have been revised and updated partial charges calculated. The force field has been validated by simulating bilayers of six different lipid types for a total of 0.5 μs each without applying a surface tension; with favorable comparison to experiment for properties such as area per lipid, volume per lipid, bilayer thickness, NMR order parameters, scattering data, and lipid lateral diffusion. As the derivation of this force field is consistent with the AMBER development philosophy, Lipid14 is compatible with the AMBER protein, nucleic acid, carbohydrate, and small molecule force fields. PMID:24803855

Variable Acceleration Force Calibration System (VACS)

NASA Technical Reports Server (NTRS)

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

2014-01-01

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

Eliminating crystals in non-oxide optical fiber preforms and optical fibers

NASA Technical Reports Server (NTRS)

LaPointe, Michael R. (Inventor); Tucker, Dennis S. (Inventor)

2010-01-01

A method is provided for eliminating crystals in non-oxide optical fiber preforms as well as optical fibers drawn therefrom. The optical-fiber-drawing axis of the preform is aligned with the force of gravity. A magnetic field is applied to the preform as it is heated to at least a melting temperature thereof. The magnetic field is applied in a direction that is parallel to the preform's optical-fiber-drawing axis. The preform is then cooled to a temperature that is less than a glass transition temperature of the preform while the preform is maintained in the magnetic field. When the processed preform is to have an optical fiber drawn therefrom, the preform's optical-fiber-drawing axis is again aligned with the force of gravity and a magnetic field is again applied along the axis as the optical fiber is drawn from the preform.

Positron Annihilation Ratio Spectroscopy Study of Electric Fields Applied to Positronium at Material Interfaces

DTIC Science & Technology

2011-03-01

from 142 ns to a few ns [3:3]. Through the application of positron annihilation lifetime spectroscopy (PALS) on a material, the o-Ps lifetime can be...Force Base, Ohio APPROVED FOR PUBLIC RELEASE; DISTRIBUTION UNLIMITED. POSITRON ANNIHILATION RATIO SPECTROSCOPY STUDY OF ELECTRIC FIELDS APPLIED TO...protection in the United States. AFIT/GNE/ENP/11-M19 POSITRON ANNIHILATION RATIO SPECTROSCOPY STUDY OF ELECTRIC FIELDS APPLIED TO POSITRONIUM AT

Force sensor using changes in magnetic flux

NASA Technical Reports Server (NTRS)

Pickens, Herman L. (Inventor); Richard, James A. (Inventor)

2012-01-01

A force sensor includes a magnetostrictive material and a magnetic field generator positioned in proximity thereto. A magnetic field is induced in and surrounding the magnetostrictive material such that lines of magnetic flux pass through the magnetostrictive material. A sensor positioned in the vicinity of the magnetostrictive material measures changes in one of flux angle and flux density when the magnetostrictive material experiences an applied force that is aligned with the lines of magnetic flux.

Force feedback delay affects perception of stiffness but not action, and the effect depends on the hand used but not on the handedness.

PubMed

Leib, Raz; Rubin, Inbar; Nisky, Ilana

2018-05-16

Interaction with an object often requires the estimation of its mechanical properties. We examined whether the hand that is used to interact with the object and their handedness affected people's estimation of these properties using stiffness estimation as a test case. We recorded participants' responses on a stiffness discrimination of a virtual elastic force field and the grip force applied on the robotic device during the interaction. In half of the trials, the robotic device delayed the participants' force feedback. Consistent with previous studies, delayed force feedback biased the perceived stiffness of the force field. Interestingly, in both left-handed and right-handed participants, for the delayed force field, there was even less perceived stiffness when participants used their left hand than their right hand. This result supports the idea that haptic processing is affected by laterality in the brain, not by handedness. Consistent with previous studies, participants adjusted their applied grip force according to the correct size and timing of the load force regardless of the hand that was used, the handedness, or the delay. This suggests that in all these conditions, participants were able to form an accurate internal representation of the anticipated trajectory of the load force (size and timing) and that this representation was used for accurate control of grip force independently of the perceptual bias. Thus, these results provide additional evidence for the dissociation between action and perception in the processing of delayed information.

Selective structural source identification

NASA Astrophysics Data System (ADS)

Totaro, Nicolas

2018-04-01

In the field of acoustic source reconstruction, the inverse Patch Transfer Function (iPTF) has been recently proposed and has shown satisfactory results whatever the shape of the vibrating surface and whatever the acoustic environment. These two interesting features are due to the virtual acoustic volume concept underlying the iPTF methods. The aim of the present article is to show how this concept of virtual subsystem can be used in structures to reconstruct the applied force distribution. Some virtual boundary conditions can be applied on a part of the structure, called virtual testing structure, to identify the force distribution applied in that zone regardless of the presence of other sources outside the zone under consideration. In the present article, the applicability of the method is only demonstrated on planar structures. However, the final example show how the method can be applied to a complex shape planar structure with point welded stiffeners even in the tested zone. In that case, if the virtual testing structure includes the stiffeners the identified force distribution only exhibits the positions of external applied forces. If the virtual testing structure does not include the stiffeners, the identified force distribution permits to localize the forces due to the coupling between the structure and the stiffeners through the welded points as well as the ones due to the external forces. This is why this approach is considered here as a selective structural source identification method. It is demonstrated that this approach clearly falls in the same framework as the Force Analysis Technique, the Virtual Fields Method or the 2D spatial Fourier transform. Even if this approach has a lot in common with these latters, it has some interesting particularities like its low sensitivity to measurement noise.

Dielectrophoresis-magnetophoresis force driven magnetic nanoparticle movement in transformer oil based magnetic fluids.

PubMed

Lee, Jong-Chul; Lee, Sangyoup

2013-09-01

Magnetic fluid is a stable colloidal mixture contained magnetic nanoparticles coated with a surfactant. Recently, it was found that the fluid has properties to increase heat transfer and dielectric characteristics due to the added magnetic nanoparticles in transformer oils. The magnetic nanoparticles in the fluid experience an electrical force directed toward the place of maximum electric field strength when the electric field is applied. And when the external magnetic field is applied, the magnetic nanoparticles form long chains oriented along the direction of the field. The behaviors of magnetic nanoparticles in both the fields must play an important role in changing the heat transfer and dielectric characteristics of the fluids. In this study, we visualized the movement of magnetic nanoparticles influenced by both the fields applied in-situ. It was found that the magnetic nanoparticles travel in the region near the electrode by the electric field and form long chains along the field direction by the magnetic field. It can be inferred that the movement of magnetic nanoparticles appears by both the fields, and the breakdown voltage of transformer oil based magnetic fluids might be influenced according to the dispersion of magnetic nanoparticles.

Scrutinizing Molecular Mechanics Force Fields on the Submicrosecond Timescale with NMR Data

PubMed Central

Lange, Oliver F.; van der Spoel, David; de Groot, Bert L.

2010-01-01

Abstract Protein dynamics on the atomic level and on the microsecond timescale has recently become accessible from both computation and experiment. To validate molecular dynamics (MD) at the submicrosecond timescale against experiment we present microsecond MD simulations in 10 different force-field configurations for two globular proteins, ubiquitin and the gb3 domain of protein G, for which extensive NMR data is available. We find that the reproduction of the measured NMR data strongly depends on the chosen force field and electrostatics treatment. Generally, particle-mesh Ewald outperforms cut-off and reaction-field approaches. A comparison to measured J-couplings across hydrogen bonds suggests that there is room for improvement in the force-field description of hydrogen bonds in most modern force fields. Our results show that with current force fields, simulations beyond hundreds of nanoseconds run an increased risk of undergoing transitions to nonnative conformational states or will persist within states of high free energy for too long, thus skewing the obtained population frequencies. Only for the AMBER99sb force field have such transitions not been observed. Thus, our results have significance for the interpretation of data obtained with long MD simulations, for the selection of force fields for MD studies and for force-field development. We hope that this comprehensive benchmark based on NMR data applied to many popular MD force fields will serve as a useful resource to the MD community. Finally, we find that for gb3, the force-field AMBER99sb reaches comparable accuracy in back-calculated residual dipolar couplings and J-couplings across hydrogen bonds to ensembles obtained by refinement against NMR data. PMID:20643085

Conformational analysis of bis(methylthio)methane and diethyl sulfide molecules in the liquid phase: reverse Monte Carlo studies using classical interatomic potential functions.

PubMed

Gereben, Orsolya; Pusztai, László

2013-11-13

Series of flexible molecule reverse Monte Carlo calculations, using bonding and non-bonding interatomic potential functions (FMP-RMC), were performed starting from previous molecular dynamics results that had applied the OPLS-AA and EncadS force fields. During RMC modeling, the experimental x-ray total scattering structure factor was approached. The discrepancy between experimental and calculated structure factors, in comparison with the molecular dynamics results, decreased substantially in each case. The room temperature liquid structure of bis(methylthio)methane is excellently described by the FMP-RMC simulation that applied the EncadS force field parameters. The main conformer was found to be AG with 55.2%, followed by 37.2% of G(+)G(+) (G(-)G(-)) and 7.6% of AA; the stability of the G(+)G(+) (G(-)G(-)) conformer is most probably caused by the anomer effect. The liquid structure of diethyl sulfide can be best described by applying the OPLS-AA force field parameters during FMP-RMC simulation, although in this case the force field parameters were found to be not fully compatible with experimental data. Here, the two main conformers are AG (50.6%) and the AA (40%). In addition to findings on the actual real systems, a fairly detailed comparison between traditional and FMP-RMC methodology is provided.

Driving morphological changes in magnetic nanoparticle structures through the application of acoustic waves and magnetic fields

NASA Astrophysics Data System (ADS)

Huang, Ann; Miansari, Morteza; Friend, James

The growing interest in acoustic manipulation of particles in micro to nanofluidics using surface acoustic waves (SAW), together with the many applications of magnetic nanoparticles-whether individual or in arrays-underpins our discovery of how these forces can be used to rapidly, easily, and irreversibly form 1D chains and 2D films. These films and chains are currently difficult to produce yet offer many advantages over individual nanoparticles in suspension. Making use of the scale of the structures formed, 10-9 to 10-5 m, and by taking a balance of the relevant external and interparticle forces, the underlying mechanisms responsible for the phenomena become apparent. For 1D chains, the magnetic field alone is sufficient, though applying an acoustic field drives a topology change from loosely connected chains to loops of 10 -100 particles. Adding the acoustic field drives a transition from these looped structures to dense 2D arrays via interparticle Bjerknes forces. Inter-particle drainage of the surrounding fluid leaves these structures intact after removal of the externally applied forces. Clear morphology transitions are present and depend on the relative amplitude of the incident Brownian, Bjerknes, and magnetic forces. UCSD: Frontiers of Innovation Scholars Program (U-1024).

Fabricating metal-oxide-semiconductor field-effect transistors on a polyethylene terephthalate substrate by applying low-temperature layer transfer of a single-crystalline silicon layer by meniscus force

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

Sakaike, Kohei; Akazawa, Muneki; Nakamura, Shogo

2013-12-02

A low-temperature local-layer technique for transferring a single-crystalline silicon (c-Si) film by using a meniscus force was proposed, and an n-channel metal-oxide-semiconductor field-effect transistor (MOSFET) was fabricated on polyethylene terephthalate (PET) substrate. It was demonstrated that it is possible to transfer and form c-Si films in the required shape at the required position on PET substrates at extremely low temperatures by utilizing a meniscus force. The proposed technique for layer transfer was applied for fabricating high-performance c-Si MOSFETs on a PET substrate. The fabricated MOSFET showed a high on/off ratio of more than 10{sup 8} and a high field-effect mobilitymore » of 609 cm{sup 2} V{sup −1} s{sup −1}.« less

Comparison of Cellulose Iβ Simulations with Three Carbohydrate Force Fields.

PubMed

Matthews, James F; Beckham, Gregg T; Bergenstråhle-Wohlert, Malin; Brady, John W; Himmel, Michael E; Crowley, Michael F

2012-02-14

Molecular dynamics simulations of cellulose have recently become more prevalent due to increased interest in renewable energy applications, and many atomistic and coarse-grained force fields exist that can be applied to cellulose. However, to date no systematic comparison between carbohydrate force fields has been conducted for this important system. To that end, we present a molecular dynamics simulation study of hydrated, 36-chain cellulose Iβ microfibrils at room temperature with three carbohydrate force fields (CHARMM35, GLYCAM06, and Gromos 45a4) up to the near-microsecond time scale. Our results indicate that each of these simulated microfibrils diverge from the cellulose Iβ crystal structure to varying degrees under the conditions tested. The CHARMM35 and GLYCAM06 force fields eventually result in structures similar to those observed at 500 K with the same force fields, which are consistent with the experimentally observed high-temperature behavior of cellulose I. The third force field, Gromos 45a4, produces behavior significantly different from experiment, from the other two force fields, and from previously reported simulations with this force field using shorter simulation times and constrained periodic boundary conditions. For the GLYCAM06 force field, initial hydrogen-bond conformations and choice of electrostatic scaling factors significantly affect the rate of structural divergence. Our results suggest dramatically different time scales for convergence of properties of interest, which is important in the design of computational studies and comparisons to experimental data. This study highlights that further experimental and theoretical work is required to understand the structure of small diameter cellulose microfibrils typical of plant cellulose.

The Effect of the Traveling Magnetic Field (TMF) on the Buoyancy-Induced Convection in the Vertical Bridgman growth of Germanium

NASA Technical Reports Server (NTRS)

Yesilyurt, S.; Motakef, S.; Grugel, R.; Mazuruk, K.

2003-01-01

A traveling magnetic field (TMF) is created by means of applying out-of-phase currents to a number of coils. When applied to a conducting melt inside a cylindrical container, the TMF induces a Lorentz force that acts in the meridional directions (radial and axial), unlike the application of a rotating magnetic field (RMF), which creates a force in the azimuthal direction. In this work, we present a computational study of the TMF and its application to the Bridgman growth of the Ge. To quantify the effect of the TMF on the solid-melt interface, we use the maximum (magnitude-wise) tangential shear at the interface.

Modelling bucket excavation by finite element

NASA Astrophysics Data System (ADS)

Pecingina, O. M.

2015-11-01

Changes in geological components of the layers from lignite pits have an impact on the sustainability of the cup path elements and under the action of excavation force appear efforts leading to deformation of the entire assembly. Application of finite element method in the optimization of components leads to economic growth, to increase the reliability and durability of the studied machine parts thus the machine. It is obvious usefulness of knowledge the state of mechanical tensions that the designed piece or the assembly not to break under the action of tensions that must cope during operation. In the course of excavation work on all bucket cutting force components, the first coming into contact with the material being excavated cutting edge. Therefore in the study with finite element analysis is retained only cutting edge. To study the field of stress and strain on the cutting edge will be created geometric patterns for each type of cup this will be subject to static analysis. The geometric design retains the cutting edge shape and on this on the tooth cassette location will apply an areal force on the abutment tooth. The cutting edge real pattern is subjected to finite element study for the worst case of rock cutting by symmetrical and asymmetrical cups whose profile is different. The purpose of this paper is to determine the displacement and tensions field for both profiles considering the maximum force applied on the cutting edge and the depth of the cutting is equal with the width of the cutting edge of the tooth. It will consider the worst case when on the structure will act both the tangential force and radial force on the bucket profile. For determination of stress and strain field on the form design of cutting edge profile will apply maximum force assuming uniform distribution and on the edge surface force will apply a radial force. After geometric patterns discretization on the cutting knives and determining stress field, can be seen that at the rectangular profile appears the "clogging" phenomenon of the cutting edge and at the polygonal profile the point of application remains constant without going inside. From the finite element method done in this paper it can be concluded that the polygonal profiles made of dihedral angles are much more durable and asymmetric cups tend to have uniform tension along the entire perimeter.

Circular Conditional Autoregressive Modeling of Vector Fields.

PubMed

Modlin, Danny; Fuentes, Montse; Reich, Brian

2012-02-01

As hurricanes approach landfall, there are several hazards for which coastal populations must be prepared. Damaging winds, torrential rains, and tornadoes play havoc with both the coast and inland areas; but, the biggest seaside menace to life and property is the storm surge. Wind fields are used as the primary forcing for the numerical forecasts of the coastal ocean response to hurricane force winds, such as the height of the storm surge and the degree of coastal flooding. Unfortunately, developments in deterministic modeling of these forcings have been hindered by computational expenses. In this paper, we present a multivariate spatial model for vector fields, that we apply to hurricane winds. We parameterize the wind vector at each site in polar coordinates and specify a circular conditional autoregressive (CCAR) model for the vector direction, and a spatial CAR model for speed. We apply our framework for vector fields to hurricane surface wind fields for Hurricane Floyd of 1999 and compare our CCAR model to prior methods that decompose wind speed and direction into its N-S and W-E cardinal components.

Circular Conditional Autoregressive Modeling of Vector Fields*

PubMed Central

Modlin, Danny; Fuentes, Montse; Reich, Brian

2013-01-01

As hurricanes approach landfall, there are several hazards for which coastal populations must be prepared. Damaging winds, torrential rains, and tornadoes play havoc with both the coast and inland areas; but, the biggest seaside menace to life and property is the storm surge. Wind fields are used as the primary forcing for the numerical forecasts of the coastal ocean response to hurricane force winds, such as the height of the storm surge and the degree of coastal flooding. Unfortunately, developments in deterministic modeling of these forcings have been hindered by computational expenses. In this paper, we present a multivariate spatial model for vector fields, that we apply to hurricane winds. We parameterize the wind vector at each site in polar coordinates and specify a circular conditional autoregressive (CCAR) model for the vector direction, and a spatial CAR model for speed. We apply our framework for vector fields to hurricane surface wind fields for Hurricane Floyd of 1999 and compare our CCAR model to prior methods that decompose wind speed and direction into its N-S and W-E cardinal components. PMID:24353452

Modification and optimization of the united-residue (UNRES) potential-energy function for canonical simulations. I. Temperature dependence of the effective energy function and tests of the optimization method with single training proteins

PubMed Central

Liwo, Adam; Khalili, Mey; Czaplewski, Cezary; Kalinowski, Sebastian; Ołdziej, Stanisław; Wachucik, Katarzyna; Scheraga, Harold A.

2011-01-01

We report the modification and parameterization of the united-residue (UNRES) force field for energy-based protein-structure prediction and protein-folding simulations. We tested the approach on three training proteins separately: 1E0L (β), 1GAB (α), and 1E0G (α + β). Heretofore, the UNRES force field had been designed and parameterized to locate native-like structures of proteins as global minima of their effective potential-energy surfaces, which largely neglected the conformational entropy because decoys composed of only lowest-energy conformations were used to optimize the force field. Recently, we developed a mesoscopic dynamics procedure for UNRES, and applied it with success to simulate protein folding pathways. How ever, the force field turned out to be largely biased towards α-helical structures in canonical simulations because the conformational entropy had been neglected in the parameterization. We applied the hierarchical optimization method developed in our earlier work to optimize the force field, in which the conformational space of a training protein is divided into levels each corresponding to a certain degree of native-likeness. The levels are ordered according to increasing native-likeness; level 0 corresponds to structures with no native-like elements and the highest level corresponds to the fully native-like structures. The aim of optimization is to achieve the order of the free energies of levels, decreasing as their native-likeness increases. The procedure is iterative, and decoys of the training protein(s) generated with the energy-function parameters of the preceding iteration are used to optimize the force field in a current iteration. We applied the multiplexing replica exchange molecular dynamics (MREMD) method, recently implemented in UNRES, to generate decoys; with this modification, conformational entropy is taken into account. Moreover, we optimized the free-energy gaps between levels at temperatures corresponding to a predominance of folded or unfolded structures, as well as to structures at the putative folding-transition temperature, changing the sign of the gaps at the transition temperature. This enabled us to obtain force fields characterized by a single peak in the heat capacity at the transition temperature. Furthermore, we introduced temperature dependence to the UNRES force field; this is consistent with the fact that it is a free-energy and not a potential-energy function. PMID:17201450

Simplified TiO2 force fields for studies of its interaction with biomolecules

NASA Astrophysics Data System (ADS)

Luan, Binquan; Huynh, Tien; Zhou, Ruhong

2015-06-01

Engineered TiO2 nanoparticles have been routinely applied in nanotechnology, as well as in cosmetics and food industries. Despite active experimental studies intended to clarify TiO2's biological effects, including potential toxicity, the relation between experimentally inferred nanotoxicity and industry standards for safely applying nanoparticles remains somewhat ambiguous with justified concerns. Supplemental to experiments, molecular dynamics simulations have proven to be efficacious in investigating the molecular mechanism of a biological process occurring at nanoscale. In this article, to facilitate the nanotoxicity and nanomedicine research related to this important metal oxide, we provide a simplified force field, based on the original Matsui-Akaogi force field but compatible to the Lennard-Jones potentials normally used in modeling biomolecules, for simulating TiO2 nanoparticles interacting with biomolecules. The force field parameters were tested in simulating the bulk structure of TiO2, TiO2 nanoparticle-water interaction, as well as the adsorption of proteins on the TiO2 nanoparticle. We demonstrate that these simulation results are consistent with experimental data/observations. We expect that simulations will help to better understand the interaction between TiO2 and molecules.

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

NASA Astrophysics Data System (ADS)

Startsev, Edward A.; Davidson, Ronald C.

2011-05-01

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

An investigation of shoulder forces in active shoulder tackles in rugby union football.

PubMed

Usman, Juliana; McIntosh, Andrew S; Fréchède, Bertrand

2011-11-01

In rugby union football the tackle is the most frequently executed skill and one most associated with injury, including shoulder injury to the tackler. Despite the importance of the tackle, little is known about the magnitude of shoulder forces in the tackle and influencing factors. The objectives of the study were to measure the shoulder force in the tackle, as well as the effects of shoulder padding, skill level, side of body, player size, and experimental setting on shoulder force. Experiments were conducted in laboratory and field settings using a repeated measures design. Thirty-five participants were recruited to the laboratory and 98 to the field setting. All were male aged over 18 years with rugby experience. The maximum force applied to the shoulder in an active shoulder tackle was measured with a custom built forceplate incorporated into a 45 kg tackle bag. The overall average maximum shoulder force was 1660 N in the laboratory and 1997 N in the field. This difference was significant. The shoulder force for tackling without shoulder pads was 1684 N compared to 1635 N with shoulder pads. There was no difference between the shoulder forces on the dominant and non-dominant sides. Shoulder force reduced with tackle repetition. No relationship was observed between player skill level and size. A substantial force can be applied to the shoulder and to an opponent in the tackle. This force is within the shoulder's injury tolerance range and is unaffected by shoulder pads. Copyright © 2011 Sports Medicine Australia. Published by Elsevier Ltd. All rights reserved.

Mass determination with the magnetic levitation method—proposal for a new design of electromechanical system

NASA Astrophysics Data System (ADS)

Kajastie, H.; Riski, K.; Satrapinski, A.

2009-06-01

The method for realization of the kilogram using 'superconducting magnetic levitation' was re-evaluated at MIKES. The realization of the kilogram based on the traditional levitation method is limited by the imperfections of the superconducting materials and the indefinable dependence between supplied electrical energy and the gravitational potential energy of the superconducting mass. This indefiniteness is proportional to the applied magnetic field and is caused by increasing losses and trapped magnetic fluxes. A new design of an electromechanical system for the levitation method is proposed. In the proposed system the required magnetic field and the corresponding force are reduced, as the mass of the body (hanging from a mass comparator) is compensated by the reference weight on the mass comparator. The direction of the magnetic force can be upward (levitation force, when the body is over the coil) or downward (repulsive force, when the body is under the coil). The initial force to move the body from the coil is not needed and magnetic field sensitivity is increased, providing linearization of displacement versus applied current. This new construction allows a lower magnetic induction, reduces energy losses compared with previous designs of electromechanical system and reduces the corresponding systematic error.

Experimental studies of protozoan response to intense magnetic fields and forces

NASA Astrophysics Data System (ADS)

Guevorkian, Karine

Intense static magnetic fields of up to 31 Tesla were used as a novel tool to manipulate the swimming mechanics of unicellular organisms. It is shown that homogenous magnetic fields alter the swimming trajectories of the single cell protozoan Paramecium caudatum, by aligning them parallel to the applied field. Immobile neutrally buoyant paramecia also oriented in magnetic fields with similar rates as the motile ones. It was established that the magneto-orientation is mostly due to the magnetic torques acting on rigid structures in the cell body and therefore the response is a non-biological, passive response. From the orientation rate of paramecia in various magnetic field strengths, the average anisotropy of the diamagnetic susceptibility of the cell was estimated. It has also been demonstrated that magnetic forces can be used to create increased, decreased and even inverted simulated gravity environments for the investigation of the gravi-responses of single cells. Since the mechanisms by which Earth's gravity affects cell functioning are still not fully understood, a number of methods to simulate different strength gravity environments, such as centrifugation, have been employed. Exploiting the ability to exert magnetic forces on weakly diamagnetic constituents of the cells, we were able to vary the gravity from -8 g to 10 g, where g is Earth's gravity. Investigations of the swimming response of paramecia in these simulated gravities revealed that they actively regulate their swimming speed to oppose the external force. This result is in agreement with centrifugation experiments, confirming the credibility of the technique. Moreover, the Paramecium's swimming ceased in simulated gravity of 10 g, indicating a maximum possible propulsion force of 0.7 nN. The magnetic force technique to simulate gravity is the only earthbound technique that can create increased and decreased simulated gravities in the same experimental setup. These findings establish a general technique for applying continuously variable forces to cells or cell populations suitable for exploring their force transduction mechanisms.

A micropatterning and image processing approach to simplify measurement of cellular traction forces

PubMed Central

Polio, Samuel R.; Rothenberg, Katheryn E.; Stamenović, Dimitrije; Smith, Michael L.

2012-01-01

Quantification of the traction forces that cells apply to their surroundings has been critical to the advancement of our understanding of cancer, development and basic cell biology. This field was made possible through the development of engineered cell culture systems that permit optical measurement of cell-mediated displacements and computational algorithms that allow conversion of these displacements into stresses and forces. Here, we present a novel advancement of traction force microscopy on polyacrylamide (PAA) gels that addresses limitations of existing technologies. Through an indirect patterning technique, we generated PAA gels with fluorescent 1 μm dot markers in a regularized array. This improves existing traction measurements since (i) multiple fields of view can be measured in one experiment without the need for cell removal; (ii) traction vectors are modeled as discrete point forces, and not as a continuous field, using an extremely simple computational algorithm that we have made available online; and (iii) the pattern transfer technique is amenable to any of the published techniques for producing patterns on glass. In the future, this technique will be used for measuring traction forces on complex patterns with multiple, spatially distinct ligands in systems for applying strain to the substrate, and in sandwich cultures that generate quasi-three-dimensional environments for cells. PMID:21884832

Pulsed plasma thruster by applied a high current hollow cathode discharge

NASA Astrophysics Data System (ADS)

Watanabe, Masayuki; N. Nogera Team; T. Kamada Team

2013-09-01

The pulsed plasma thruster applied by a high current hollow cathode discharge has been investigated. In this research, the pseudo-spark discharge (PSD), which is a one of a pulsed high current hollow cathode discharge, is applied to the plasma thruster. In PSD, the opposite surfaces of the anode and cathode have a small circular hole and the cathode has a cylindrical cavity behind the circular hole. To generate the high speed plasma flow, the diameter of the anode hole is enlarged as compared with that of the cathode hole. As a result, the plasma is accelerated by a combination of an electro-magnetic force and a thermo-dynamic force inside a cathode cavity. For the improvement of the plasma jet characteristic, the magnetic field is also applied to the plasma jet. To magnetize the plasma jet, the external magnetic field is directly induced nearby the electrode holes. Consequently, the plasma jet is accelerated with the self-azimuthal magnetic field. With the magnetic field, the temperature and the density of the plasma jet were around 5 eV and in the order of 10 19 m-3. The density increased several times as compared with that without the magnetic field.

Let's get honest about sampling.

PubMed

Mobley, David L

2012-01-01

Molecular simulations see widespread and increasing use in computation and molecular design, especially within the area of molecular simulations applied to biomolecular binding and interactions, our focus here. However, force field accuracy remains a concern for many practitioners, and it is often not clear what level of accuracy is really needed for payoffs in a discovery setting. Here, I argue that despite limitations of today's force fields, current simulation tools and force fields now provide the potential for real benefits in a variety of applications. However, these same tools also provide irreproducible results which are often poorly interpreted. Continued progress in the field requires more honesty in assessment and care in evaluation of simulation results, especially with respect to convergence.

Accurate van der Waals force field for gas adsorption in porous materials.

PubMed

Sun, Lei; Yang, Li; Zhang, Ya-Dong; Shi, Qi; Lu, Rui-Feng; Deng, Wei-Qiao

2017-09-05

An accurate van der Waals force field (VDW FF) was derived from highly precise quantum mechanical (QM) calculations. Small molecular clusters were used to explore van der Waals interactions between gas molecules and porous materials. The parameters of the accurate van der Waals force field were determined by QM calculations. To validate the force field, the prediction results from the VDW FF were compared with standard FFs, such as UFF, Dreiding, Pcff, and Compass. The results from the VDW FF were in excellent agreement with the experimental measurements. This force field can be applied to the prediction of the gas density (H 2 , CO 2 , C 2 H 4 , CH 4 , N 2 , O 2 ) and adsorption performance inside porous materials, such as covalent organic frameworks (COFs), zeolites and metal organic frameworks (MOFs), consisting of H, B, N, C, O, S, Si, Al, Zn, Mg, Ni, and Co. This work provides a solid basis for studying gas adsorption in porous materials. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Molecular modeling studies of structural properties of polyvinyl alcohol: a comparative study using INTERFACE force field.

PubMed

Radosinski, Lukasz; Labus, Karolina

2017-10-05

Polyvinyl alcohol (PVA) is a material with a variety of applications in separation, biotechnology, and biomedicine. Using combined Monte Carlo and molecular dynamics techniques, we present an extensive comparative study of second- and third-generation force fields Universal, COMPASS, COMPASS II, PCFF, and the newly developed INTERFACE, as applied to this system. In particular, we show that an INTERFACE force field provides a possibility of composing a reliable atomistic model to reproduce density change of PVA matrix in a narrow temperature range (298-348 K) and calculate a thermal expansion coefficient with reasonable accuracy. Thus, the INTERFACE force field may be used to predict mechanical properties of the PVA system, being a scaffold for hydrogels, with much greater accuracy than latter approaches. Graphical abstract Molecular Dynamics and Monte Carlo studies indicate that it is possible to predict properties of the PVA in narrow temperature range by using the INTERFACE force field.

Controlling Two-dimensional Tethered Vesicle Motion Using an Electric Field

PubMed Central

Yoshina-Ishii, Chiaki; Boxer, Steven G.

2008-01-01

We recently introduced methods to tether phospholipid vesicles or proteoliposomes onto a fluid supported lipid bilayer using DNA hybridization. These intact tethered vesicles diffuse in two dimensions parallel to the supporting membrane surface. In this paper, we report the dynamic response of individual tethered vesicles to an electric field applied parallel to the bilayer surface. Vesicles respond to the field by moving in the direction of electro-osmotic flow, and this can be used to reversibly concentrate tethered vesicles against a barrier. By adding increasing amounts of negatively charged phosphatidylserine to the supporting bilayer to increase electro-osmosis, the electrophoretic mobility of the tethered vesicles can be increased. The electro-osmotic contribution can be modeled well by a sphere connected to a cylindrical anchor in a viscous membrane with charged head groups. The electrophoretic force on the negatively charged tethered vesicles opposes the electro-osmotic force. By increasing the amount of negative charge on the tethered vesicle, drift in the direction of electro-osmotic flow can be slowed; at high negative charge on the tethered vesicle, motion can be forced in the direction of electrophoresis. The balance between these forces can be visualized on a patterned supporting bilayer containing negatively charged lipids which themselves reorganize in an externally applied electric field to create a gradient of charge within a corralled region. The charge gradient at the surface creates a gradient of electro-osmotic flow, and vesicles carrying similar amounts of negative charge can be focused to a region perpendicular to the applied field where electrophoresis is balanced by electro-osmosis, away from the corral boundary. Electric fields are effective tools to direct tethered vesicles, concentrate them and to measure the tethered vesicle’s electrostatic properties. PMID:16489833

Magnetic fields applied to collagen-coated ferric oxide beads induce stretch-activated Ca2+ flux in fibroblasts.

PubMed

Glogauer, M; Ferrier, J; McCulloch, C A

1995-11-01

The ability to apply controlled forces to the cell membrane may enable elucidation of the mechanisms and pathways involved in signal transduction in response to applied physical stimuli. We have developed a magnetic particle-electromagnet model that allows the application of controlled forces to the plasma membrane of substrate-attached fibroblasts. The system allows applied forces to be controlled by the magnitude of the magnetic field and by the surface area of cell membrane covered with collagen-coated ferric beads. Analysis by single-cell ratio fluorimetry of fura 2-loaded cells demonstrated large calcium transients (50-300 nM) in response to the magnetic force applications. Experiments using either the stretch-activated channel blocker gadolinium chloride or ethylene glycol-bis(beta-aminoethyl ether)-N,N,N',N'-tetraacetic acid to eliminate external calcium ions, or addition of extracellular manganese ions, indicated that there was a calcium influx through putative stretch-activated channels. The probability of a calcium influx in single cells was increased by higher surface bead loading and the degree of cell spreading. Depolymerization of actin filaments by cytochalasin D increased the amplitude of calcium response twofold. The regulation of calcium flux by filamentous actin content and by cell spreading indicates a possible modulatory role for the cytoskeleton in channel sensitivity. Magnetic force application to beads on single cells provides a controlled model to study mechanisms and heterogeneity in physical force stimulation of cation-permeable channels.

Catch trials in force field learning influence adaptation and consolidation of human motor memory

PubMed Central

Stockinger, Christian; Focke, Anne; Stein, Thorsten

2014-01-01

Force field studies are a common tool to investigate motor adaptation and consolidation. Thereby, subjects usually adapt their reaching movements to force field perturbations induced by a robotic device. In this context, so-called catch trials, in which the disturbing forces are randomly turned off, are commonly used to detect after-effects of motor adaptation. However, catch trials also produce sudden large motor errors that might influence the motor adaptation and the consolidation process. Yet, the detailed influence of catch trials is far from clear. Thus, the aim of this study was to investigate the influence of catch trials on motor adaptation and consolidation in force field experiments. Therefore, 105 subjects adapted their reaching movements to robot-generated force fields. The test groups adapted their reaching movements to a force field A followed by learning a second interfering force field B before retest of A (ABA). The control groups were not exposed to force field B (AA). To examine the influence of diverse catch trial ratios, subjects received catch trials during force field adaptation with a probability of either 0, 10, 20, 30, or 40%, depending on the group. First, the results on motor adaptation revealed significant differences between the diverse catch trial ratio groups. With increasing amount of catch trials, the subjects' motor performance decreased and subjects' ability to accurately predict the force field—and therefore internal model formation—was impaired. Second, our results revealed that adapting with catch trials can influence the following consolidation process as indicated by a partial reduction to interference. Here, the optimal catch trial ratio was 30%. However, detection of consolidation seems to be biased by the applied measure of performance. PMID:24795598

Semiconductor crystal growth in crossed electric and magnetic fields: Center Director's Discretionary Fund

NASA Technical Reports Server (NTRS)

Mazuruk, K.; Volz, M. P.

1996-01-01

A unique growth cell was designed in which crossed electric and magnetic fields could be separately or simultaneously applied during semiconductor crystal growth. A thermocouple was inserted into an InSb melt inside the growth cell to examine the temperature response of the fluid to applied electromagnetic fields. A static magnetic field suppressed time-dependent convection when a destabilizing thermal field was applied. The simultaneous application of electric and magnetic fields resulted in forced convection in the melt. The InSb ingots grown in the cell were polycrystalline. An InGaSb crystal, 0.5 cm in diameter and 23-cm long, was grown without electromagnetic fields applied. The axial composition results indicated that complete mixing in the melt occurred for this large aspect ratio.

QuickFF: A program for a quick and easy derivation of force fields for metal-organic frameworks from ab initio input.

PubMed

Vanduyfhuys, Louis; Vandenbrande, Steven; Verstraelen, Toon; Schmid, Rochus; Waroquier, Michel; Van Speybroeck, Veronique

2015-05-15

QuickFF is a software package to derive accurate force fields for isolated and complex molecular systems in a quick and easy manner. Apart from its general applicability, the program has been designed to generate force fields for metal-organic frameworks in an automated fashion. The force field parameters for the covalent interaction are derived from ab initio data. The mathematical expression of the covalent energy is kept simple to ensure robustness and to avoid fitting deficiencies as much as possible. The user needs to produce an equilibrium structure and a Hessian matrix for one or more building units. Afterward, a force field is generated for the system using a three-step method implemented in QuickFF. The first two steps of the methodology are designed to minimize correlations among the force field parameters. In the last step, the parameters are refined by imposing the force field parameters to reproduce the ab initio Hessian matrix in Cartesian coordinate space as accurate as possible. The method is applied on a set of 1000 organic molecules to show the easiness of the software protocol. To illustrate its application to metal-organic frameworks (MOFs), QuickFF is used to determine force fields for MIL-53(Al) and MOF-5. For both materials, accurate force fields were already generated in literature but they requested a lot of manual interventions. QuickFF is a tool that can easily be used by anyone with a basic knowledge of performing ab initio calculations. As a result, accurate force fields are generated with minimal effort. © 2015 Wiley Periodicals, Inc. © 2015 Wiley Periodicals, Inc.

Heat transfer enhancement of Fe3O4 ferrofluids in the presence of magnetic field

NASA Astrophysics Data System (ADS)

Fadaei, Farzad; Shahrokhi, Mohammad; Molaei Dehkordi, Asghar; Abbasi, Zeinab

2017-05-01

In this article, three-dimensional (3D) forced-convection heat transfer of magnetic nanofluids in a pipe subject to constant wall heat flux in the presence of single or double permanent magnet(s) or current-carrying wire has been investigated and compared. In this regard, laminar fluid flow and equilibrium magnetization for the ferrofluid were considered. In addition, variations of magnetic field in different media were taken into account and the assumption of having a linear relationship of magnetization with applied magnetic field intensity was also relaxed. Effects of magnetic field intensity, nanoparticle volume fraction, Reynolds number value, and the type of magnetic field source (i.e., a permanent magnet or current-carrying wire) on the forced-convection heat transfer of magnetic nanofluids were carefully investigated. It was found that by applying the magnetic field, the fluid mixing could be intensified that leads to an increase in the Nusselt number value along the pipe length. Moreover, the obtained simulation results indicate that applying the magnetic field induced by two permanent magnets with a magnetization of 3×105 (A/m) (for each one), the fully developed Nusselt number value can be increased by 196%.

Diffusion model of penetration of a chloride-containing environment in the volume of a constructive element

NASA Astrophysics Data System (ADS)

Ovchinnikov, I. I.; Snezhkina, O. V.; Ovchinnikov, I. G.

2018-06-01

A generalized model of diffusional penetration of a chloride-containing medium into the volume of a compressed reinforced concrete element is considered. The equations of deformation values of reinforced concrete structure are presented, taking into account the degradation of concrete and corrosion of reinforcement. At the initial stage, an applied force calculation of section of the structural element with mechanical properties of the material which are determined by the initial field of concentration of aggressive medium, is carried out. Furthermore, at each discrete instant moment of time, the following properties are determined: the distribution law of concentration for chloride field, corresponding to the parameters of the stress-strain state; the calculation of corrosion damage field of reinforcing elements and the applied force calculation of section of the structural element with parameters corresponding to the distribution of the concentration field and the field of corrosion damage are carried out.

Lorentz Force on Sodium and Chlorine Ions in a Salt Water Solution Flow under a Transverse Magnetic Field

ERIC Educational Resources Information Center

De Luca, R.

2009-01-01

It is shown that, by applying elementary concepts in electromagnetism and electrochemistry to a system consisting of salt water flowing in a thin rectangular pipe at an average velocity v[subscript A] under the influence of a transverse magnetic field B[subscript 0], an electromotive force generator can be conceived. In fact, the Lorentz force…

Estimation of motion fields by non-linear registration for local lung motion analysis in 4D CT image data.

PubMed

Werner, René; Ehrhardt, Jan; Schmidt-Richberg, Alexander; Heiss, Anabell; Handels, Heinz

2010-11-01

Motivated by radiotherapy of lung cancer non- linear registration is applied to estimate 3D motion fields for local lung motion analysis in thoracic 4D CT images. Reliability of analysis results depends on the registration accuracy. Therefore, our study consists of two parts: optimization and evaluation of a non-linear registration scheme for motion field estimation, followed by a registration-based analysis of lung motion patterns. The study is based on 4D CT data of 17 patients. Different distance measures and force terms for thoracic CT registration are implemented and compared: sum of squared differences versus a force term related to Thirion's demons registration; masked versus unmasked force computation. The most accurate approach is applied to local lung motion analysis. Masked Thirion forces outperform the other force terms. The mean target registration error is 1.3 ± 0.2 mm, which is in the order of voxel size. Based on resulting motion fields and inter-patient normalization of inner lung coordinates and breathing depths a non-linear dependency between inner lung position and corresponding strength of motion is identified. The dependency is observed for all patients without or with only small tumors. Quantitative evaluation of the estimated motion fields indicates high spatial registration accuracy. It allows for reliable registration-based local lung motion analysis. The large amount of information encoded in the motion fields makes it possible to draw detailed conclusions, e.g., to identify the dependency of inner lung localization and motion. Our examinations illustrate the potential of registration-based motion analysis.

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

PubMed

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

2014-07-08

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

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

NASA Technical Reports Server (NTRS)

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

1990-01-01

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

Modeling Field-Scale Phosphorus Transfer: Model Strengths and Weaknesses, Gaps in Knowledge, and the Role for Scientists

USDA-ARS?s Scientific Manuscript database

The ultimate goal of applied research of phosphorus (P) transfer from agricultural fields to surface waters should arguably be to develop and apply mathematical models. There are two primary reasons for this assertion: 1) models formalize our understanding of P transfer and force us to test that und...

Mechanism of travelling-wave transport of particles

NASA Astrophysics Data System (ADS)

Kawamoto, Hiroyuki; Seki, Kyogo; Kuromiya, Naoyuki

2006-03-01

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

Determination of structure and properties of molecular crystals from first principles.

PubMed

Szalewicz, Krzysztof

2014-11-18

CONSPECTUS: Until recently, it had been impossible to predict structures of molecular crystals just from the knowledge of the chemical formula for the constituent molecule(s). A solution of this problem has been achieved using intermolecular force fields computed from first principles. These fields were developed by calculating interaction energies of molecular dimers and trimers using an ab initio method called symmetry-adapted perturbation theory (SAPT) based on density-functional theory (DFT) description of monomers [SAPT(DFT)]. For clusters containing up to a dozen or so atoms, interaction energies computed using SAPT(DFT) are comparable in accuracy to the results of the best wave function-based methods, whereas the former approach can be applied to systems an order of magnitude larger than the latter. In fact, for monomers with a couple dozen atoms, SAPT(DFT) is about equally time-consuming as the supermolecular DFT approach. To develop a force field, SAPT(DFT) calculations are performed for a large number of dimer and possibly also trimer configurations (grid points in intermolecular coordinates), and the interaction energies are then fitted by analytic functions. The resulting force fields can be used to determine crystal structures and properties by applying them in molecular packing, lattice energy minimization, and molecular dynamics calculations. In this way, some of the first successful determinations of crystal structures were achieved from first principles, with crystal densities and lattice parameters agreeing with experimental values to within about 1%. Crystal properties obtained using similar procedures but empirical force fields fitted to crystal data have typical errors of several percent due to low sensitivity of empirical fits to interactions beyond those of the nearest neighbors. The first-principles approach has additional advantages over the empirical approach for notional crystals and cocrystals since empirical force fields can only be extrapolated to such cases. As an alternative to applying SAPT(DFT) in crystal structure calculations, one can use supermolecular DFT interaction energies combined with scaled dispersion energies computed from simple atom-atom functions, that is, use the so-called DFT+D approach. Whereas the standard DFT methods fail for intermolecular interactions, DFT+D performs reasonably well since the dispersion correction is used not only to provide the missing dispersion contribution but also to fix other deficiencies of DFT. The latter cancellation of errors is unphysical and can be avoided by applying the so-called dispersionless density functional, dlDF. In this case, the dispersion energies are added without any scaling. The dlDF+D method is also one of the best performing DFT+D methods. The SAPT(DFT)-based approach has been applied so far only to crystals with rigid monomers. It can be extended to partly flexible monomers, that is, to monomers with only a few internal coordinates allowed to vary. However, the costs will increase relative to rigid monomer cases since the number of grid points increases exponentially with the number of dimensions. One way around this problem is to construct force fields with approximate couplings between inter- and intramonomer degrees of freedom. Another way is to calculate interaction energies (and possibly forces) "on the fly", i.e., in each step of lattice energy minimization procedure. Such an approach would be prohibitively expensive if it replaced analytic force fields at all stages of the crystal predictions procedure, but it can be used to optimize a few dozen candidate structures determined by other methods.

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

NASA Astrophysics Data System (ADS)

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

2017-10-01

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

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

PubMed

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

2017-10-28

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

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

A data-driven decomposition approach to model aerodynamic forces on flapping airfoils

NASA Astrophysics Data System (ADS)

Raiola, Marco; Discetti, Stefano; Ianiro, Andrea

2017-11-01

In this work, we exploit a data-driven decomposition of experimental data from a flapping airfoil experiment with the aim of isolating the main contributions to the aerodynamic force and obtaining a phenomenological model. Experiments are carried out on a NACA 0012 airfoil in forward flight with both heaving and pitching motion. Velocity measurements of the near field are carried out with Planar PIV while force measurements are performed with a load cell. The phase-averaged velocity fields are transformed into the wing-fixed reference frame, allowing for a description of the field in a domain with fixed boundaries. The decomposition of the flow field is performed by means of the POD applied on the velocity fluctuations and then extended to the phase-averaged force data by means of the Extended POD approach. This choice is justified by the simple consideration that aerodynamic forces determine the largest contributions to the energetic balance in the flow field. Only the first 6 modes have a relevant contribution to the force. A clear relationship can be drawn between the force and the flow field modes. Moreover, the force modes are closely related (yet slightly different) to the contributions of the classic potential models in literature, allowing for their correction. This work has been supported by the Spanish MINECO under Grant TRA2013-41103-P.

Algorithms to automate gap-dependent integral tuning for the 2.8-meter long horizontal field undulator with a dynamic force compensation mechanism

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

Xu, Joseph Z., E-mail: x@anl.gov; Vasserman, Isaac; Strelnikov, Nikita

2016-07-27

A 2.8-meter long horizontal field prototype undulator with a dynamic force compensation mechanism has been developed and tested at the Advanced Photon Source (APS) at Argonne National Laboratory (Argonne). The magnetic tuning of the undulator integrals has been automated and accomplished by applying magnetic shims. A detailed description of the algorithms and performance is reported.

Einstein's osmotic equilibrium of colloidal suspensions in conservative force fields

NASA Astrophysics Data System (ADS)

Fu, Jinxin; Ou-Yang, H. Daniel

2014-09-01

Predicted by Einstein in his 1905 paper on Brownian motion, colloidal particles in suspension reach osmotic equilibrium under gravity. The idea was demonstrated by J.B. Perrin to win Nobel Prize in Physics in 1926. We show Einstein's equation for osmotic equilibrium can be applied to colloids in a conservative force field generated by optical gradient forces. We measure the osmotic equation of state of 100nm Polystyrene latex particles in the presence of KCl salt and PEG polymer. We also obtain the osmotic compressibility, which is important for determining colloidal stability and the internal chemical potential, which is useful for predicting the phase transition of colloidal systems. This generalization allows for the use of any conservative force fields for systems ranging from colloidal systems to macromolecular solutions.

An analysis of the extension of a ZnO piezoelectric semiconductor nanofiber under an axial force

NASA Astrophysics Data System (ADS)

Zhang, Chunli; Wang, Xiaoyuan; Chen, Weiqiu; Yang, Jiashi

2017-02-01

This paper presents a theoretical analysis on the axial extension of an n-type ZnO piezoelectric semiconductor nanofiber under an axial force. The phenomenological theory of piezoelectric semiconductors consisting of Newton’s second law of motion, the charge equation of electrostatics and the conservation of charge was used. The equations were linearized for small axial force and hence small electron concentration perturbation, and were reduced to one-dimensional equations for thin fibers. Simple and analytical expressions for the electromechanical fields and electron concentration in the fiber were obtained. The fields are either totally or partially described by hyperbolic functions relatively large near the ends of the fiber and change rapidly there. The behavior of the fields is sensitive to the initial electron concentration and the applied axial force. For higher initial electron concentrations the fields are larger near the ends and change more rapidly there.

Magnetic field sensor based on the Ampere's force using dual-polarization DBR fiber laser

NASA Astrophysics Data System (ADS)

Yao, Shuang; Zhang, Yang; Guan, Baiou

2015-08-01

A novel magnetic field sensor using distributed Bragg reflector (DBR) fiber laser by Ampere's force effect is proposed and experimentally demonstrated. The key sensing element, that is the dual-polarization DBR fiber laser, is fixed on the middle part of two copper plates which carry the current. Ampere's force is applied onto the coppers due to an external magnetic field generated by a DC solenoid. Thus, the lateral force from the coppers is converted to a corresponding beat frequency signal shift produced by the DBR laser. The electric current sensing is also realized by the same configuration and same principle simultaneously in an intuitive manner. Good agreement between the theory calculation and the experimental results is obtained, which shows a good linearity. This sensor's sensitivity to the magnetic field and to the electric current finally reaches ~258.92 kHz/mT and ~1.08727 MHz/A, respectively.

Studying chemical reactions in biological systems with MBN Explorer: implementation of molecular mechanics with dynamical topology

NASA Astrophysics Data System (ADS)

Sushko, Gennady B.; Solov'yov, Ilia A.; Verkhovtsev, Alexey V.; Volkov, Sergey N.; Solov'yov, Andrey V.

2016-01-01

The concept of molecular mechanics force field has been widely accepted nowadays for studying various processes in biomolecular systems. In this paper, we suggest a modification for the standard CHARMM force field that permits simulations of systems with dynamically changing molecular topologies. The implementation of the modified force field was carried out in the popular program MBN Explorer, and, to support the development, we provide several illustrative case studies where dynamical topology is necessary. In particular, it is shown that the modified molecular mechanics force field can be applied for studying processes where rupture of chemical bonds plays an essential role, e.g., in irradiation- or collision-induced damage, and also in transformation and fragmentation processes involving biomolecular systems. Contribution to the Topical Issue "COST Action Nano-IBCT: Nano-scale Processes Behind Ion-Beam Cancer Therapy", edited by Andrey V. Solov'yov, Nigel Mason, Gustavo Garcia and Eugene Surdutovich.

Optimization of a Nucleic Acids united-RESidue 2-Point model (NARES-2P) with a maximum-likelihood approach

NASA Astrophysics Data System (ADS)

He, Yi; Liwo, Adam; Scheraga, Harold A.

2015-12-01

Coarse-grained models are useful tools to investigate the structural and thermodynamic properties of biomolecules. They are obtained by merging several atoms into one interaction site. Such simplified models try to capture as much as possible information of the original biomolecular system in all-atom representation but the resulting parameters of these coarse-grained force fields still need further optimization. In this paper, a force field optimization method, which is based on maximum-likelihood fitting of the simulated to the experimental conformational ensembles and least-squares fitting of the simulated to the experimental heat-capacity curves, is applied to optimize the Nucleic Acid united-RESidue 2-point (NARES-2P) model for coarse-grained simulations of nucleic acids recently developed in our laboratory. The optimized NARES-2P force field reproduces the structural and thermodynamic data of small DNA molecules much better than the original force field.

[Present situation and development trends of asymmetrical flow field-flow fractionation].

PubMed

Liang, Qihui; Wu, Di; Qiu, Bailing; Han, Nanyin

2017-09-08

Field-flow fractionation (FFF) is a kind of mature separation technologies in the field of bioanalysis, feasible of separating analytes with the differences of certain physical and chemical properties by the combination effects of two orthogonal force fields (flow field and external force field). Asymmetrical flow field-flow fractionation (AF4) is a vital subvariant of FFF, which applying a vertical flow field as the second dimension force field. The separation in AF4 opening channel is carried out by any composition carrier fluid, universally and effectively used in separation of bioparticles and biopolymers due to the non-invasivity feature. Herein, bio-analytes are held in bio-friendly environment and easily sterilized without using degrading carrier fluid which is conducive to maintain natural conformation. In this review, FFF and AF4 principles are briefly described, and some classical and emerging applications and developments in the bioanalytical fields are concisely introduced and tabled. Also, special focus is given to the hyphenation of AF4 with highly specific, sensitive detection technologies.

Design, analysis, and fabrication of a piezoelectric force plate

NASA Astrophysics Data System (ADS)

Hoummadi, Elias; Safaei, Mohsen; Anton, Steven R.

2017-04-01

Force plates are used to detect static and dynamic reaction forces due to presence of stationary or moving objects as well as the location of applied forces. The application of force plates in various biomechanical fields, such as gait analysis, has been widely suggested and investigated in the past. Several sensor technologies like piezoelectrics, capacitance gauges, and piezoresistive sensors are utilized to develop force plates with special characteristics. Among the technologies employed in force plate designs, piezoelectrics present the ability of providing a self-powered sensory system. Recently, it has been suggested to implement piezoelectric transducers as sensors in the tibial bearing of total knee replacement (TKR) implants in order to transform the knee bearing into a force plate with the ability to detect force and contact point location for in vivo knee load analysis. Considering this application, a simplified design of a force plate instrumented with six piezoelectric transducers is presented in this study. The force plate is modeled using a finite element (FE) model to investigate the sensing performance of the system. In order to validate the simulation, a prototype force plate is fabricated and tested under the same loading condition applied on the FE model. The results are presented in terms of measured location and amplitude of applied force measured by the piezoelectric transducers. For the FE simulation, the deviation of the measured location of the applied force from the actual location is obtained as 0.62 mm in the x-direction and 0.13 mm in the y-direction, and the error in the amplitude of the measured force is 0.03% of the applied force. On the other hand, the deviation in the measured location of the force from the experimental test is 0.53 mm in the x-direction and 0.1 mm in the y-direction, while the error in force is 3.6% of the applied force. The small quantities of error in both sensed location and amplitude of applied force obtained from the FE simulation and experimental test results demonstrates the potential of the proposed design to be utilized as the sensor in the knee bearing of TKR implants.

Study of Dynamic Membrane Behavior in Applied DC Electric Field

NASA Astrophysics Data System (ADS)

Dutta, Prashanta; Morshed, Adnan; Hossan, Mohammad

2017-11-01

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

Extending the Range for Force Calibration in Magnetic Tweezers

PubMed Central

Daldrop, Peter; Brutzer, Hergen; Huhle, Alexander; Kauert, Dominik J.; Seidel, Ralf

2015-01-01

Magnetic tweezers are a wide-spread tool used to study the mechanics and the function of a large variety of biomolecules and biomolecular machines. This tool uses a magnetic particle and a strong magnetic field gradient to apply defined forces to the molecule of interest. Forces are typically quantified by analyzing the lateral fluctuations of the biomolecule-tethered particle in the direction perpendicular to the applied force. Since the magnetic field pins the anisotropy axis of the particle, the lateral fluctuations follow the geometry of a pendulum with a short pendulum length along and a long pendulum length perpendicular to the field lines. Typically, the short pendulum geometry is used for force calibration by power-spectral-density (PSD) analysis, because the movement of the bead in this direction can be approximated by a simple translational motion. Here, we provide a detailed analysis of the fluctuations according to the long pendulum geometry and show that for this direction, both the translational and the rotational motions of the particle have to be considered. We provide analytical formulas for the PSD of this coupled system that agree well with PSDs obtained in experiments and simulations and that finally allow a faithful quantification of the magnetic force for the long pendulum geometry. We furthermore demonstrate that this methodology allows the calibration of much larger forces than the short pendulum geometry in a tether-length-dependent manner. In addition, the accuracy of determination of the absolute force is improved. Our force calibration based on the long pendulum geometry will facilitate high-resolution magnetic-tweezers experiments that rely on short molecules and large forces, as well as highly parallelized measurements that use low frame rates. PMID:25992733

Fringe Field Effects on Bending Magnets, Derived for TRANSPORT/TURTLE

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

Molloy, Riley; Blitz, Sam

2013-08-05

A realistic magnetic dipole has complex effects on a charged particle near the entrance and exit of the magnet, even with a constant and uniform magnetic field deep within the interior of the magnet. To satisfy Maxwell's equations, the field lines near either end of a realistic magnet are significantly more complicated, yielding non-trivial forces. The effects of this fringe field are calculated to first order, applying both the paraxial and thin lens approximations. We find that, in addition to zeroth order effects, the position of a particle directly impacts the forces in the horizontal and vertical directions.

Representing delayed force feedback as a combination of current and delayed states.

PubMed

Avraham, Guy; Mawase, Firas; Karniel, Amir; Shmuelof, Lior; Donchin, Opher; Mussa-Ivaldi, Ferdinando A; Nisky, Ilana

2017-10-01

To adapt to deterministic force perturbations that depend on the current state of the hand, internal representations are formed to capture the relationships between forces experienced and motion. However, information from multiple modalities travels at different rates, resulting in intermodal delays that require compensation for these internal representations to develop. To understand how these delays are represented by the brain, we presented participants with delayed velocity-dependent force fields, i.e., forces that depend on hand velocity either 70 or 100 ms beforehand. We probed the internal representation of these delayed forces by examining the forces the participants applied to cope with the perturbations. The findings showed that for both delayed forces, the best model of internal representation consisted of a delayed velocity and current position and velocity. We show that participants relied initially on the current state, but with adaptation, the contribution of the delayed representation to adaptation increased. After adaptation, when the participants were asked to make movements with a higher velocity for which they had not previously experienced with the delayed force field, they applied forces that were consistent with current position and velocity as well as delayed velocity representations. This suggests that the sensorimotor system represents delayed force feedback using current and delayed state information and that it uses this representation when generalizing to faster movements. NEW & NOTEWORTHY The brain compensates for forces in the body and the environment to control movements, but it is unclear how it does so given the inherent delays in information transmission and processing. We examined how participants cope with delayed forces that depend on their arm velocity 70 or 100 ms beforehand. After adaptation, participants applied opposing forces that revealed a partially correct representation of the perturbation using the current and the delayed information. Copyright © 2017 the American Physiological Society.

Detecting the gravitational sensitivity of Paramecium caudatum using magnetic forces

NASA Astrophysics Data System (ADS)

Guevorkian, Karine; Valles, James M., Jr.

2006-03-01

Under normal conditions, Paramecium cells regulate their swimming speed in response to the pN level mechanical force of gravity. This regulation, known as gravikinesis, is more pronounced when the external force is increased by methods such as centrifugation. Here we present a novel technique that simulates gravity fields using the interactions between strong inhomogeneous magnetic fields and cells. We are able to achieve variable gravities spanning from 10xg to -8xg; where g is earth's gravity. Our experiments show that the swimming speed regulation of Paramecium caudatum to magnetically simulated gravity is a true physiological response. In addition, they reveal a maximum propulsion force for paramecia. This advance establishes a general technique for applying continuously variable forces to cells or cell populations suitable for exploring their force transduction mechanisms.

Flux lattice imaging of a patterned niobium thin film

NASA Astrophysics Data System (ADS)

Roseman, M.; Grütter, P.; Badía, A.; Metlushko, V.

2001-06-01

Using our cryogenic magnetic force microscope, we have investigated a superconducting Nb thin film, 100 nm in thickness with Tc˜6.5 K. The film is patterned with a square array (1 μm×1 μm) of antidots, which serve as artificial pinning centers for magnetic flux. We have observed flux lattice matching as a function of applied magnetic field and temperature, for field strengths up to the third matching field, with evidence of flux dragging by the tip around the antidots. Force gradient distance curves acquired at temperatures about Tc clearly demonstrate an observable Meissner force between tip and sample, and allow for an estimation of the magnetic screening penetration depth.

Experimental investigation of SDBD plasma actuator driven by AC high voltage with a superimposed positive pulse bias voltage

NASA Astrophysics Data System (ADS)

Qi, Xiao-Hua; Yan, Hui-Jie; Yang, Liang; Hua, Yue; Ren, Chun-Sheng

2017-08-01

In this work, a driven voltage consisting of AC high voltage with a superimposed positive pulse bias voltage ("AC+ Positive pulse bias" voltage) is adopted to study the performance of a surface dielectric barrier discharge plasma actuator under atmospheric conditions. To compare the performance of the actuator driven by single-AC voltage and "AC+ Positive pulse bias" voltage, the actuator-induced thrust force and power consumption are measured as a function of the applied AC voltage, and the measured results indicate that the thrust force can be promoted significantly after superimposing the positive pulse bias voltage. The physical mechanism behind the thrust force changes is analyzed by measuring the optical properties, electrical characteristics, and surface potential distribution. Experimental results indicate that the glow-like discharge in the AC voltage half-cycle, next to the cycle where a bias voltage pulse has been applied, is enhanced after applying the positive pulse bias voltage, and this perhaps is the main reason for the thrust force increase. Moreover, surface potential measurement results reveal that the spatial electric field formed by the surface charge accumulation after positive pulse discharge can significantly affect the applied external electric field, and this perhaps can be responsible for the experimental phenomenon that the decrease of thrust force is delayed by pulse bias voltage action after the filament discharge occurs in the glow-like discharge region. The schlieren images further verify that the actuator-induced airflow velocity increases with the positive pulse voltage.

Instabilities of the force-free current configurations

NASA Astrophysics Data System (ADS)

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

1996-03-01

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

Equivalence of expressions for the radiation force on cylinders and application to elliptical cylinders

NASA Astrophysics Data System (ADS)

Wei, Wei; Marston, Philip L.

2005-09-01

Using an appropriate grouping of terms, a radiation force expression for cylinders in a standing wave based on far-field scattering [W. Wei, D. B. Thiessen, and P. L. Marston, J. Acoust. Soc. Am. 116, 202-208 (2004)] is transformed to an expression given elsewhere [F. G. Mitri, Eur. Phys. J. B 44, 71-78 (2005)]. Mitri's result is from a near-field derivation for the specific case of a circular cylinder. In the usual case, in an ideal lossless media the far-field derivation is not an approximation. The far-field derivation also applies to noncircular objects having mirror symmetry about the incident wave vector. Some general and historical aspects of far-field derivations of optical and acoustical radiation force (going back to 1909) will be noted. Our formulation yields a simple low-frequency approximation for the radiation force on elliptical cylinders by introducing approximations for the partial-wave scattering coefficients of elliptical cylinders first derived by Rayleigh. [Work supported by NASA.

Design principles for high–pressure force fields: Aqueous TMAO solutions from ambient to kilobar pressures

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

Hölzl, Christoph; Horinek, Dominik, E-mail: dominik.horinek@ur.de; Kibies, Patrick

Accurate force fields are one of the major pillars on which successful molecular dynamics simulations of complex biomolecular processes rest. They have been optimized for ambient conditions, whereas high-pressure simulations become increasingly important in pressure perturbation studies, using pressure as an independent thermodynamic variable. Here, we explore the design of non-polarizable force fields tailored to work well in the realm of kilobar pressures – while avoiding complete reparameterization. Our key is to first compute the pressure-induced electronic and structural response of a solute by combining an integral equation approach to include pressure effects on solvent structure with a quantum-chemical treatmentmore » of the solute within the embedded cluster reference interaction site model (EC-RISM) framework. Next, the solute’s response to compression is taken into account by introducing pressure-dependence into selected parameters of a well-established force field. In our proof-of-principle study, the full machinery is applied to N,N,N-trimethylamine-N-oxide (TMAO) in water being a potent osmolyte that counteracts pressure denaturation. EC-RISM theory is shown to describe well the charge redistribution upon compression of TMAO(aq) to 10 kbar, which is then embodied in force field molecular dynamics by pressure-dependent partial charges. The performance of the high pressure force field is assessed by comparing to experimental and ab initio molecular dynamics data. Beyond its broad usefulness for designing non-polarizable force fields for extreme thermodynamic conditions, a good description of the pressure-response of solutions is highly recommended when constructing and validating polarizable force fields.« less

Design principles for high-pressure force fields: Aqueous TMAO solutions from ambient to kilobar pressures.

PubMed

Hölzl, Christoph; Kibies, Patrick; Imoto, Sho; Frach, Roland; Suladze, Saba; Winter, Roland; Marx, Dominik; Horinek, Dominik; Kast, Stefan M

2016-04-14

Accurate force fields are one of the major pillars on which successful molecular dynamics simulations of complex biomolecular processes rest. They have been optimized for ambient conditions, whereas high-pressure simulations become increasingly important in pressure perturbation studies, using pressure as an independent thermodynamic variable. Here, we explore the design of non-polarizable force fields tailored to work well in the realm of kilobar pressures--while avoiding complete reparameterization. Our key is to first compute the pressure-induced electronic and structural response of a solute by combining an integral equation approach to include pressure effects on solvent structure with a quantum-chemical treatment of the solute within the embedded cluster reference interaction site model (EC-RISM) framework. Next, the solute's response to compression is taken into account by introducing pressure-dependence into selected parameters of a well-established force field. In our proof-of-principle study, the full machinery is applied to N,N,N-trimethylamine-N-oxide (TMAO) in water being a potent osmolyte that counteracts pressure denaturation. EC-RISM theory is shown to describe well the charge redistribution upon compression of TMAO(aq) to 10 kbar, which is then embodied in force field molecular dynamics by pressure-dependent partial charges. The performance of the high pressure force field is assessed by comparing to experimental and ab initio molecular dynamics data. Beyond its broad usefulness for designing non-polarizable force fields for extreme thermodynamic conditions, a good description of the pressure-response of solutions is highly recommended when constructing and validating polarizable force fields.

Improvement in thrust force estimation of solenoid valve considering minor hysteresis loop

NASA Astrophysics Data System (ADS)

Yoon, Myung-Hwan; Choi, Yun-Yong; Hong, Jung-Pyo

2017-05-01

Solenoid valve is a very important hydraulic actuator for an automatic transmission in terms of shift quality. The same form of pressure for the clutch and the input current are required for an ideal control. However, the gap between a pressure and a current can occur which brings a delay in a transmission and a decrease in quality. This problem is caused by hysteresis phenomenon. As the ascending or descending magnetic field is applied to the solenoid, different thrust forces are generated. This paper suggests the calculation method of the thrust force considering the hysteresis phenomenon and consequently the accurate force can be obtained. Such hysteresis occurs in ferromagnetic materials, however the hysteresis phenomenon includes a minor hysteresis loop which begins with an initial magnetization curve and is generated by DC biased field density. As the core of the solenoid is ferromagnetic material, an accurate thrust force is obtained by applying the minor hysteresis loop compared to the force calculated by considering only the initial magnetization curve. An analytical background and the detailed explanation of measuring the minor hysteresis loop are presented. Furthermore experimental results and finite element analysis results are compared for the verification.

Stray field signatures of Néel textured skyrmions in Ir/Fe/Co/Pt multilayer films

NASA Astrophysics Data System (ADS)

Yagil, A.; Almoalem, A.; Soumyanarayanan, Anjan; Tan, Anthony K. C.; Raju, M.; Panagopoulos, C.; Auslaender, O. M.

2018-05-01

Skyrmions are nanoscale spin configurations with topological properties that hold great promise for spintronic devices. Here, we establish their Néel texture, helicity, and size in Ir/Fe/Co/Pt multilayer films by constructing a multipole expansion to model their stray field signatures and applying it to magnetic force microscopy images. Furthermore, the demonstrated sensitivity to inhomogeneity in skyrmion properties, coupled with a unique capability to estimate the pinning force governing dynamics, portend broad applicability in the burgeoning field of topological spin textures.

Robot Training With Vector Fields Based on Stroke Survivors' Individual Movement Statistics.

PubMed

Wright, Zachary A; Lazzaro, Emily; Thielbar, Kelly O; Patton, James L; Huang, Felix C

2018-02-01

The wide variation in upper extremity motor impairments among stroke survivors necessitates more intelligent methods of customized therapy. However, current strategies for characterizing individual motor impairments are limited by the use of traditional clinical assessments (e.g., Fugl-Meyer) and simple engineering metrics (e.g., goal-directed performance). Our overall approach is to statistically identify the range of volitional movement capabilities, and then apply a robot-applied force vector field intervention that encourages under-expressed movements. We investigated whether explorative training with such customized force fields would improve stroke survivors' (n = 11) movement patterns in comparison to a control group that trained without forces (n = 11). Force and control groups increased Fugl-Meyer UE scores (average of 1.0 and 1.1, respectively), which is not considered clinically meaningful. Interestingly, participants from both groups demonstrated dramatic increases in their range of velocity during exploration following only six days of training (average increase of 166.4% and 153.7% for the Force and Control group, respectively). While both groups showed evidence of improvement, we also found evidence that customized forces affected learning in a systematic way. When customized forces were active, we observed broader distributions of velocity that were not present in the controls. Second, we found that these changes led to specific changes in unassisted motion. In addition, while the shape of movement distributions changed significantly for both groups, detailed analysis of the velocity distributions revealed that customized forces promoted a greater proportion of favorable changes. Taken together, these results provide encouraging evidence that patient-specific force fields based on individuals' movement statistics can be used to create new movement patterns and shape them in a customized manner. To the best of our knowledge, this paper is the first to directly link engineering assessments of stroke survivors' exploration movement behaviors to the design of customized robot therapy.

Force Field Development from Periodic Density Functional Theory Calculations for Gas Separation Applications Using Metal–Organic Frameworks

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

Mercado, Rocio; Vlaisavljevich, Bess; Lin, Li -Chiang

We present accurate force fields developed from density functional theory (DFT) calculations with periodic boundary conditions for use in molecular simulations involving M 2(dobdc) (M-MOF-74; dobdc 4– = 2,5-dioxidobenzenedicarboxylate; M = Mg, Mn, Fe, Co, Ni, Zn) and frameworks of similar topology. In these systems, conventional force fields fail to accurately model gas adsorption due to the strongly binding open-metal sites. The DFT-derived force fields predict the adsorption of CO 2, H 2O, and CH 4 inside these frameworks much more accurately than other common force fields. We show that these force fields can also be used for M 2(dobpdc)more » (dobpdc 4– = 4,4'-dioxidobiphenyl-3,3'-dicarboxylate), an extended version of MOF-74, and thus are a promising alternative to common force fields for studying materials similar to MOF-74 for carbon capture applications. Furthermore, it is anticipated that the approach can be applied to other metal–organic framework topologies to obtain force fields for different systems. We have used this force field to study the effect of contaminants such as H 2O and N 2 upon these materials’ performance for the separation of CO 2 from the emissions of natural gas reservoirs and coal-fired power plants. Specifically, mixture adsorption isotherms calculated with these DFT-derived force fields showed a significant reduction in the uptake of many gas components in the presence of even trace amounts of H 2O vapor. The extent to which the various gases are affected by the concentration of H 2O in the reservoir is quantitatively different for the different frameworks and is related to their heats of adsorption. Additionally, significant increases in CO 2 selectivities over CH 4 and N 2 are observed as the temperature of the systems is lowered.« less

Force Field Development from Periodic Density Functional Theory Calculations for Gas Separation Applications Using Metal–Organic Frameworks

DOE PAGES

Mercado, Rocio; Vlaisavljevich, Bess; Lin, Li -Chiang; ...

2016-05-25

We present accurate force fields developed from density functional theory (DFT) calculations with periodic boundary conditions for use in molecular simulations involving M 2(dobdc) (M-MOF-74; dobdc 4– = 2,5-dioxidobenzenedicarboxylate; M = Mg, Mn, Fe, Co, Ni, Zn) and frameworks of similar topology. In these systems, conventional force fields fail to accurately model gas adsorption due to the strongly binding open-metal sites. The DFT-derived force fields predict the adsorption of CO 2, H 2O, and CH 4 inside these frameworks much more accurately than other common force fields. We show that these force fields can also be used for M 2(dobpdc)more » (dobpdc 4– = 4,4'-dioxidobiphenyl-3,3'-dicarboxylate), an extended version of MOF-74, and thus are a promising alternative to common force fields for studying materials similar to MOF-74 for carbon capture applications. Furthermore, it is anticipated that the approach can be applied to other metal–organic framework topologies to obtain force fields for different systems. We have used this force field to study the effect of contaminants such as H 2O and N 2 upon these materials’ performance for the separation of CO 2 from the emissions of natural gas reservoirs and coal-fired power plants. Specifically, mixture adsorption isotherms calculated with these DFT-derived force fields showed a significant reduction in the uptake of many gas components in the presence of even trace amounts of H 2O vapor. The extent to which the various gases are affected by the concentration of H 2O in the reservoir is quantitatively different for the different frameworks and is related to their heats of adsorption. Additionally, significant increases in CO 2 selectivities over CH 4 and N 2 are observed as the temperature of the systems is lowered.« less

Development of SAAP3D force field and the application to replica-exchange Monte Carlo simulation for chignolin and C-peptide.

PubMed

Iwaoka, Michio; Suzuki, Toshiki; Shoji, Yuya; Dedachi, Kenichi; Shimosato, Taku; Minezaki, Toshiya; Hojo, Hironobu; Onuki, Hiroyuki; Hirota, Hiroshi

2017-12-01

Single amino acid potential (SAAP) would be a prominent factor to determine peptide conformations. To prove this hypothesis, we previously developed SAAP force field for molecular simulation of polypeptides. In this study, the force field was renovated to SAAP3D force field by applying more accurate three-dimensional main-chain parameters, instead of the original two-dimensional ones, for the amino acids having a long side-chain. To demonstrate effectiveness of the SAAP3D force field, replica-exchange Monte Carlo (REMC) simulation was performed for two benchmark short peptides, chignolin (H-GYDPETGTWG-OH) and C-peptide (CHO-AETAAAKFLRAHA-NH 2 ). For chignolin, REMC/SAAP3D simulation correctly produced native β-turn structures, whose minimal all-atom root-mean-square deviation value measured from the native NMR structure (except for H) was 1.2 Å, at 300 K in implicit water, along with misfolded β-hairpin structures with unpacked aromatic side chains of Tyr2 and Trp9. Similar results were obtained for chignolin analog [G1Y,G10Y], which folded more tightly to the native β-turn structure than chignolin did. For C-peptide, on the other hand, the α-helix content was larger than the β content on average, suggesting a significant helix-forming propensity. When the imidazole side chain of His12 was protonated (i.e., [His12Hip]), the α content became larger. These observations as well as the representative structures obtained by clustering analysis were in reasonable agreement not only with the structures of C-peptide that were determined in this study by NMR in 30% CD 3 CD in H 2 O at 298 K but also with the experimental and theoretical behaviors having been reported for protonated C-peptide. Thus, accuracy of the SAAP force field was improved by applying three-dimensional main-chain parameters, supporting prominent importance of SAAP for peptide conformations.

Development of SAAP3D force field and the application to replica-exchange Monte Carlo simulation for chignolin and C-peptide

NASA Astrophysics Data System (ADS)

Iwaoka, Michio; Suzuki, Toshiki; Shoji, Yuya; Dedachi, Kenichi; Shimosato, Taku; Minezaki, Toshiya; Hojo, Hironobu; Onuki, Hiroyuki; Hirota, Hiroshi

2017-12-01

Single amino acid potential (SAAP) would be a prominent factor to determine peptide conformations. To prove this hypothesis, we previously developed SAAP force field for molecular simulation of polypeptides. In this study, the force field was renovated to SAAP3D force field by applying more accurate three-dimensional main-chain parameters, instead of the original two-dimensional ones, for the amino acids having a long side-chain. To demonstrate effectiveness of the SAAP3D force field, replica-exchange Monte Carlo (REMC) simulation was performed for two benchmark short peptides, chignolin (H-GYDPETGTWG-OH) and C-peptide (CHO-AETAAAKFLRAHA-NH2). For chignolin, REMC/SAAP3D simulation correctly produced native β-turn structures, whose minimal all-atom root-mean-square deviation value measured from the native NMR structure (except for H) was 1.2 Å, at 300 K in implicit water, along with misfolded β-hairpin structures with unpacked aromatic side chains of Tyr2 and Trp9. Similar results were obtained for chignolin analog [G1Y,G10Y], which folded more tightly to the native β-turn structure than chignolin did. For C-peptide, on the other hand, the α-helix content was larger than the β content on average, suggesting a significant helix-forming propensity. When the imidazole side chain of His12 was protonated (i.e., [His12Hip]), the α content became larger. These observations as well as the representative structures obtained by clustering analysis were in reasonable agreement not only with the structures of C-peptide that were determined in this study by NMR in 30% CD3CD in H2O at 298 K but also with the experimental and theoretical behaviors having been reported for protonated C-peptide. Thus, accuracy of the SAAP force field was improved by applying three-dimensional main-chain parameters, supporting prominent importance of SAAP for peptide conformations.

High magnetic field ohmically decoupled non-contact technology

DOEpatents

Wilgen, John [Oak Ridge, TN; Kisner, Roger [Knoxville, TN; Ludtka, Gerard [Oak Ridge, TN; Ludtka, Gail [Oak Ridge, TN; Jaramillo, Roger [Knoxville, TN

2009-05-19

Methods and apparatus are described for high magnetic field ohmically decoupled non-contact treatment of conductive materials in a high magnetic field. A method includes applying a high magnetic field to at least a portion of a conductive material; and applying an inductive magnetic field to at least a fraction of the conductive material to induce a surface current within the fraction of the conductive material, the surface current generating a substantially bi-directional force that defines a vibration. The high magnetic field and the inductive magnetic field are substantially confocal, the fraction of the conductive material is located within the portion of the conductive material and ohmic heating from the surface current is ohmically decoupled from the vibration. An apparatus includes a high magnetic field coil defining an applied high magnetic field; an inductive magnetic field coil coupled to the high magnetic field coil, the inductive magnetic field coil defining an applied inductive magnetic field; and a processing zone located within both the applied high magnetic field and the applied inductive magnetic field. The high magnetic field and the inductive magnetic field are substantially confocal, and ohmic heating of a conductive material located in the processing zone is ohmically decoupled from a vibration of the conductive material.

Influence of Force Fields and Quantum Chemistry Approach on Spectral Densities of BChl a in Solution and in FMO Proteins

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

Chandrasekaran, Suryanarayanan; Aghtar, Mortaza; Valleau, Stéphanie

2015-08-06

Studies on light-harvesting (LH) systems have attracted much attention after the finding of long-lived quantum coherences in the exciton dynamics of the Fenna–Matthews–Olson (FMO) complex. In this complex, excitation energy transfer occurs between the bacteriochlorophyll a (BChl a) pigments. Two quantum mechanics/molecular mechanics (QM/MM) studies, each with a different force-field and quantum chemistry approach, reported different excitation energy distributions for the FMO complex. To understand the reasons for these differences in the predicted excitation energies, we have carried out a comparative study between the simulations using the CHARMM and AMBER force field and the Zerner intermediate neglect of differential orbitalmore » (ZINDO)/S and time-dependent density functional theory (TDDFT) quantum chemistry methods. The calculations using the CHARMM force field together with ZINDO/S or TDDFT always show a wider spread in the energy distribution compared to those using the AMBER force field. High- or low-energy tails in these energy distributions result in larger values for the spectral density at low frequencies. A detailed study on individual BChl a molecules in solution shows that without the environment, the density of states is the same for both force field sets. Including the environmental point charges, however, the excitation energy distribution gets broader and, depending on the applied methods, also asymmetric. The excitation energy distribution predicted using TDDFT together with the AMBER force field shows a symmetric, Gaussian-like distribution.« less

High Reynolds number turbulence model of rotating shear flows

NASA Astrophysics Data System (ADS)

Masuda, S.; Ariga, I.; Koyama, H. S.

1983-09-01

A Reynolds stress closure model for rotating turbulent shear flows is developed. Special attention is paid to keeping the model constants independent of rotation. First, general forms of the model of a Reynolds stress equation and a dissipation rate equation are derived, the only restrictions of which are high Reynolds number and incompressibility. The model equations are then applied to two-dimensional equilibrium boundary layers and the effects of Coriolis acceleration on turbulence structures are discussed. Comparisons with the experimental data and with previous results in other external force fields show that there exists a very close analogy between centrifugal, buoyancy and Coriolis force fields. Finally, the model is applied to predict the two-dimensional boundary layers on rotating plane walls. Comparisons with existing data confirmed its capability of predicting mean and turbulent quantities without employing any empirical relations in rotating fields.

Transformation of body force localized near the surface of a half-space into equivalent surface stresses.

PubMed

Rouge, Clémence; Lhémery, Alain; Ségur, Damien

2013-10-01

An electromagnetic acoustic transducer (EMAT) or a laser used to generate elastic waves in a component is often described as a source of body force confined in a layer close to the surface. On the other hand, models for elastic wave radiation more efficiently handle sources described as distributions of surface stresses. Equivalent surface stresses can be obtained by integrating the body force with respect to depth. They are assumed to generate the same field as the one that would be generated by the body force. Such an integration scheme can be applied to Lorentz force for conventional EMAT configuration. When applied to magnetostrictive force generated by an EMAT in a ferromagnetic material, the same scheme fails, predicting a null stress. Transforming body force into equivalent surface stresses therefore, requires taking into account higher order terms of the force moments, the zeroth order being the simple force integration over the depth. In this paper, such a transformation is derived up to the second order, assuming that body forces are localized at depths shorter than the ultrasonic wavelength. Two formulations are obtained, each having some advantages depending on the application sought. They apply regardless of the nature of the force considered.

Electrostatic fuel conditioning of internal combustion engines

NASA Technical Reports Server (NTRS)

Gold, P. I.

1982-01-01

Diesel engines were tested to determine if they are influenced by the presence of electrostatic and magnetic fields. Field forces were applied in a variety of configurations including pretreatment of the fuel and air, however, no affect on engine performance was observed.

A numerical study of natural convection in a vertical annulus filled with gallium in the presence of magnetic field

NASA Astrophysics Data System (ADS)

Afrand, Masoud; Toghraie, Davood; Karimipour, Arash; Wongwises, Somchai

2017-05-01

Presets work aims to investigate the natural convection inside a cylindrical annulus mold containing molten gallium under a horizontal magnetic field in three-dimensional coordinates. The modeling system is a vertical cylindrical annulus which is made by two co-axial cylinders of internal and external radii. The internal and external walls are maintained isothermal but in different temperatures. The upper and lower sides of annulus are also considered adiabatic while it is filled by an electrical conducting fluid. Three dimensional cylindrical coordinates as (r , θ , z) are used to respond the velocity components as (u , v , w) . The governing equations are steady, laminar and Newtonian using the Boussinesq approximation. Equations are nonlinear and they must be corresponded by applying the finite volume approach; so that the hybrid-scheme is applied to discretize equations. The results imply that magnetic field existence leads to generate the Lorentz force in opposite direction of the buoyancy forces. Moreover the Lorentz force and its corresponded electric field are more significant in both Hartmann layer and Roberts layer, respectively. The strong magnetic field is required to achieve better quality products in the casting process of a liquid metal with a higher Prandtl number.

Magnetohydrodynamic drag reduction and its efficiency

NASA Astrophysics Data System (ADS)

Shatrov, V.; Gerbeth, G.

2007-03-01

We present results of direct numerical simulations of a turbulent channel flow influenced by electromagnetic forces. The magnetohydrodynamic Lorentz force is created by the interaction of a steady magnetic field and electric currents fed to the fluid via electrodes placed at the wall surface. Two different cases are considered. At first, a time-oscillating electric current and a steady magnetic field create a spanwise time-oscillating Lorentz force. In the second case, a stationary electric current and a steady magnetic field create a steady, mainly streamwise Lorentz force. Besides the viscous drag, the importance of the electromagnetic force acting on the wall is figured out. Regarding the energetic efficiency, it is demonstrated that in all cases a balance between applied and flow-induced electric currents improves the efficiency significantly. But even then, the case of a spanwise oscillating Lorentz force remains with a very low efficiency, whereas for the self-propelled regime in the case of a steady streamwise force, much higher efficiencies are found. Still, no set of parameters has yet been found for which an energetic breakthrough, i.e., a saved power exceeding the used power, is reached.

A Lifting-Surface Program for Contrarotating Propellers

DTIC Science & Technology

1989-04-01

computer program for a set the force and induced flow field could be determined . of CR propellers has been developed based on a modi- The variations of...and their methods. To determine the forces and induced Nelson’s lifting life programs use the same approach, flow field, they applied lifting-line...Velocimetry (LDV). The propeller set, designed wake should be exactly the same as the hub geometry, to operate in uniform flow , was tested in the DTRC The

Domain Wall Evolution in Phase Transforming Oxides

DTIC Science & Technology

2015-01-14

configumtions under driving forces (e.g. changes in temperature and electric fields) in an effort to: 1) understand the underlying linkage between -1...configurations under driving forces (e.g. changes in temperature and electric fields) in an effort to: 1) understand the underlying linkage between...Extensive domain wall motion and deaging resistance in morphotropic 0.55Bi(Ni1/2Ti1/2)O3–0.45PbTiO3 polycrystalline ferroelectrics, Applied Physics Letters

Movement augmentation to evaluate human control of locomotor stability.

PubMed

Brown, Geoffrey; Wu, Mengnan Mary; Huang, Felix C; Gordon, Keith E

2017-07-01

Controlling center of mass (COM) position and velocity within a dynamic base of support is essential for gait stability. This skill is often compromised following neurologic injury, creating a need to develop effective interventions to enhance gait stability. A movement augmentation paradigm applied to walking could potentially be used to improve control of COM dynamics. We have developed a cable robot system, the Agility Trainer, to apply continuous frontal-plane forces to the pelvis during treadmill walking. This cable robot system uses a set of series elastic actuators powered by linear motors to create bilateral forces. Here we use the Agility Trainer to create a negative viscosity force field proportional to the subject's lateral velocity. Two healthy young subjects performed two 10-minute walking trials, Baseline and Negative Viscosity. During the first minute of walking in the Negative Viscosity field, participants' lateral COM motion became less controlled when compared to the rhythmic sinusoidal motion observed during Baseline walking. By the 10th minute of walking in the Negative Viscosity field the participants had adapted their gait patterns, decreasing their variation in peak lateral COM speed each stride. These results demonstrate that it is feasible to use the Agility Trainer to apply a movement augmentation paradigm to human walking.

Does buckling instability of the pseudopodium limit how well an amoeba can climb?

PubMed

Ghosal, Sandip; Fukui, Yoshio

2011-02-21

The maximum force that a crawling cell can exert on a substrate is a quantity of interest in cell biomechanics. One way of quantifying this force is to allow the cell to crawl against a measurable and adjustable restraining force until the cell is no longer able to move in a direction opposite to the applied force. Fukui et al. (2000) reported on an experiment where amoeboid cells were imaged while they crawled against an artificial gravity field created by a centrifuge. An unexpected observation was that the net applied force on the amoeba did not seem to be the primary factor that limited its ability to climb. Instead, it appeared that the amoeba stalled when it was no longer able to support a pseudopodium against the applied gravity field. The high g-load bend the pseudopodium thereby preventing its attachment to the target point directly ahead of the cell. In this paper we further refine this idea by identifying the bending of the pseudopodium with the onset of elastic instability of a beam under its own weight. It is shown that the principal features of the experiment may be understood through this model and an estimate for the limiting g-load in reasonable accord with the experimental measurements is recovered. Copyright © 2010 Elsevier Ltd. All rights reserved.

Proprioception Is Robust under External Forces

PubMed Central

Kuling, Irene A.; Brenner, Eli; Smeets, Jeroen B. J.

2013-01-01

Information from cutaneous, muscle and joint receptors is combined with efferent information to create a reliable percept of the configuration of our body (proprioception). We exposed the hand to several horizontal force fields to examine whether external forces influence this percept. In an end-point task subjects reached visually presented positions with their unseen hand. In a vector reproduction task, subjects had to judge a distance and direction visually and reproduce the corresponding vector by moving the unseen hand. We found systematic individual errors in the reproduction of the end-points and vectors, but these errors did not vary systematically with the force fields. This suggests that human proprioception accounts for external forces applied to the hand when sensing the position of the hand in the horizontal plane. PMID:24019959

Perspective: Ab initio force field methods derived from quantum mechanics

NASA Astrophysics Data System (ADS)

Xu, Peng; Guidez, Emilie B.; Bertoni, Colleen; Gordon, Mark S.

2018-03-01

It is often desirable to accurately and efficiently model the behavior of large molecular systems in the condensed phase (thousands to tens of thousands of atoms) over long time scales (from nanoseconds to milliseconds). In these cases, ab initio methods are difficult due to the increasing computational cost with the number of electrons. A more computationally attractive alternative is to perform the simulations at the atomic level using a parameterized function to model the electronic energy. Many empirical force fields have been developed for this purpose. However, the functions that are used to model interatomic and intermolecular interactions contain many fitted parameters obtained from selected model systems, and such classical force fields cannot properly simulate important electronic effects. Furthermore, while such force fields are computationally affordable, they are not reliable when applied to systems that differ significantly from those used in their parameterization. They also cannot provide the information necessary to analyze the interactions that occur in the system, making the systematic improvement of the functional forms that are used difficult. Ab initio force field methods aim to combine the merits of both types of methods. The ideal ab initio force fields are built on first principles and require no fitted parameters. Ab initio force field methods surveyed in this perspective are based on fragmentation approaches and intermolecular perturbation theory. This perspective summarizes their theoretical foundation, key components in their formulation, and discusses key aspects of these methods such as accuracy and formal computational cost. The ab initio force fields considered here were developed for different targets, and this perspective also aims to provide a balanced presentation of their strengths and shortcomings. Finally, this perspective suggests some future directions for this actively developing area.

The Influence of Shape on the Output Potential of ZnO Nanostructures: Sensitivity to Parallel versus Perpendicular Forces.

PubMed

Cardoso, José; Oliveira, Filipe F; Proenca, Mariana P; Ventura, João

2018-05-22

With the consistent shrinking of devices, micro-systems are, nowadays, widely used in areas such as biomedics, electronics, automobiles, and measurement devices. As devices shrunk, so too did their energy consumptions, opening the way for the use of nanogenerators (NGs) as power sources. In particular, to harvest energy from an object's motion (mechanical vibrations, torsional forces, or pressure), present NGs are mainly composed of piezoelectric materials in which, upon an applied compressive or strain force, an electrical field is produced that can be used to power a device. The focus of this work is to simulate the piezoelectric effect in different ZnO nanostructures to optimize the output potential generated by a nanodevice. In these simulations, cylindrical nanowires, nanomushrooms, and nanotrees were created, and the influence of the nanostructures' shape on the output potential was studied as a function of applied parallel and perpendicular forces. The obtained results demonstrated that the output potential is linearly proportional to the applied force and that perpendicular forces are more efficient in all structures. However, nanotrees were found to have an increased sensitivity to parallel applied forces, which resulted in a large enhancement of the output efficiency. These results could then open a new path to increase the efficiency of piezoelectric nanogenerators.

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.

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

PubMed Central

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

2015-01-01

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

Methods and Research for Multi-Component Cutting Force Sensing Devices and Approaches in Machining

PubMed Central

Liang, Qiaokang; Zhang, Dan; Wu, Wanneng; Zou, Kunlin

2016-01-01

Multi-component cutting force sensing systems in manufacturing processes applied to cutting tools are gradually becoming the most significant monitoring indicator. Their signals have been extensively applied to evaluate the machinability of workpiece materials, predict cutter breakage, estimate cutting tool wear, control machine tool chatter, determine stable machining parameters, and improve surface finish. Robust and effective sensing systems with capability of monitoring the cutting force in machine operations in real time are crucial for realizing the full potential of cutting capabilities of computer numerically controlled (CNC) tools. The main objective of this paper is to present a brief review of the existing achievements in the field of multi-component cutting force sensing systems in modern manufacturing. PMID:27854322

Methods and Research for Multi-Component Cutting Force Sensing Devices and Approaches in Machining.

PubMed

Liang, Qiaokang; Zhang, Dan; Wu, Wanneng; Zou, Kunlin

2016-11-16

Multi-component cutting force sensing systems in manufacturing processes applied to cutting tools are gradually becoming the most significant monitoring indicator. Their signals have been extensively applied to evaluate the machinability of workpiece materials, predict cutter breakage, estimate cutting tool wear, control machine tool chatter, determine stable machining parameters, and improve surface finish. Robust and effective sensing systems with capability of monitoring the cutting force in machine operations in real time are crucial for realizing the full potential of cutting capabilities of computer numerically controlled (CNC) tools. The main objective of this paper is to present a brief review of the existing achievements in the field of multi-component cutting force sensing systems in modern manufacturing.

Interfacing 3D magnetic twisting cytometry with confocal fluorescence microscopy to image force responses in living cells.

PubMed

Zhang, Yuejin; Wei, Fuxiang; Poh, Yeh-Chuin; Jia, Qiong; Chen, Junjian; Chen, Junwei; Luo, Junyu; Yao, Wenting; Zhou, Wenwen; Huang, Wei; Yang, Fang; Zhang, Yao; Wang, Ning

2017-07-01

Cells and tissues can undergo a variety of biological and structural changes in response to mechanical forces. Only a few existing techniques are available for quantification of structural changes at high resolution in response to forces applied along different directions. 3D-magnetic twisting cytometry (3D-MTC) is a technique for applying local mechanical stresses to living cells. Here we describe a protocol for interfacing 3D-MTC with confocal fluorescence microscopy. In 3D-MTC, ferromagnetic beads are bound to the cell surface via surface receptors, followed by their magnetization in any desired direction. A magnetic twisting field in a different direction is then applied to generate rotational shear stresses in any desired direction. This protocol describes how to combine magnetic-field-induced mechanical stimulation with confocal fluorescence microscopy and provides an optional extension for super-resolution imaging using stimulated emission depletion (STED) nanoscopy. This technology allows for rapid real-time acquisition of a living cell's mechanical responses to forces via specific receptors and for quantifying structural and biochemical changes in the same cell using confocal fluorescence microscopy or STED. The integrated 3D-MTC-microscopy platform takes ∼20 d to construct, and the experimental procedures require ∼4 d when carried out by a life sciences graduate student.

Interfacing 3D magnetic twisting cytometry with confocal fluorescence microscopy to image force responses in living cells

PubMed Central

Zhang, Yuejin; Wei, Fuxiang; Poh, Yeh-Chuin; Jia, Qiong; Chen, Junjian; Chen, Junwei; Luo, Junyu; Yao, Wenting; Zhou, Wenwen; Huang, Wei; Yang, Fang; Zhang, Yao; Wang, Ning

2017-01-01

Cells and tissues can undergo a variety of biological and structural changes in response to mechanical forces. Only few existing techniques are available for quantification of structural changes at high resolution in response to forces applied along different directions. Three dimensional-Magnetic Twisting Cytometry (3D-MTC) is a technique for applying local mechanical stresses on living cells. Here we describe a protocol for interfacing 3D-MTC with confocal fluorescence microscopy. In 3D-MTC, ferromagnetic beads are bound to the cell surface via surface receptors followed by their magnetization in any desired direction. A magnetic twisting field in a different direction is then applied to generate rotational shear stresses in any desired direction. This protocol describes how to combine magnetic field-induced mechanical stimulation with confocal fluorescence microscopy and provides an optional extension for super resolution imaging using stimulated emission depletion (STED) nanoscopy. This technology allows for rapid real time acquisition of a living cell’s mechanical responses to forces via specific receptors and for quantifying structural and biochemical changes in the same cell using confocal fluorescence microscopy or STED. The integrated 3D-MTC – microscopy platform takes around 20 days to construct and the experimental procedures require ~4 days when carried out by a life sciences graduate student. PMID:28686583

Lattice QCD with strong external electric fields.

PubMed

Yamamoto, Arata

2013-03-15

We study particle generation by a strong electric field in lattice QCD. To avoid the sign problem of the Minkowskian electric field, we adopt the "isospin" electric charge. When a strong electric field is applied, the insulating vacuum is broken down and pairs of charged particles are produced by the Schwinger mechanism. The competition against the color confining force is also discussed.

Piezoelectric Composites by Solid Freeform Fabrication: A Nature-Inspired Approach

NASA Astrophysics Data System (ADS)

Safari, A.; Akdoğan, E. K.

Piezoelectrics and electrostrictors are indispensable materials for use in transducer technology, as they inherently possess both direct (sensing) and converse (actuation) effects. A piezoelectric/electrostrictive sensor converts a mechanical input (displacement or force) into a measurable electrical output through piezoelectric/electrostrictive energy conversion. In the case of a piezoelectric, an applied mechanical force (stress) induces a voltage across the terminals of the transducer. On the other hand, an applied mechanical force induces a change in the capacitance of an electrostrictive transducer that could be electrically detected. Hence, the mechanical to electrical energy conversion is accomplished directly when a piezoelectric is used, while the same is obtained indirectly if the electroactive material of choice is an electrostrictor. Conversely, both piezoelectric and electrostrictive materials develop an elastic strain under an applied electric field. The said elastic strain is linearly proportional to the applied field in a piezoelectric, whereas electrostrictive coupling involves the second-order (quadratic) coupling of electric field with elastic strain. While piezoelectricity is possible only in noncentrosymetric point groups, electrostriction is observed in all solids, which make it a much more general solid-state phenomenon. Sensing and actuation functions can coexist in a given transducer by the intelligent use of such materials. Piezoelectrics and electrostrictors, therefore, constitute the backbone of modern transducer technology, as mechanical to electric energy (and vice versa) conversion can be accomplished with great efficiency in a way that is second to none among all phenomena known to date [1,2].

Find Your Center

ERIC Educational Resources Information Center

Trauth-Nare, Amy; Pavilonis, Amy; Paganucci, Julia; Ciabattoni, Gemma; Buckley, Jenni

2016-01-01

"Mechanics" is a branch of engineering and physics that deals with forces and motion, and its fundamental principles apply to all objects, whether a bouncing ball, flowing stream, bicycle, or the human body. The field of "biomechanics" applies mechanics concepts specifically to the bodies of humans (and other animals).…

Reconstruction and separation of vibratory field using structural holography

NASA Astrophysics Data System (ADS)

Chesnais, C.; Totaro, N.; Thomas, J.-H.; Guyader, J.-L.

2017-02-01

A method for reconstructing and separating vibratory field on a plate-like structure is presented. The method, called "Structural Holography" is derived from classical Near-field Acoustic Holography (NAH) but in the vibratory domain. In this case, the plate displacement is measured on one-dimensional lines (the holograms) and used to reconstruct the entire two-dimensional displacement field. As a consequence, remote measurements on non directly accessible zones are possible with Structural Holography. Moreover, as it is based on the decomposition of the field into forth and back waves, Structural Holography permits to separate forces in the case of multi-sources excitation. The theoretical background of the Structural Holography method is described first. Then, to illustrate the process and the possibilities of Structural Holography, the academic test case of an infinite plate excited by few point forces is presented. With the principle of vibratory field separation, the displacement fields produced by each point force separately is reconstructed. However, the displacement field is not always meaningful and some additional treatments are mandatory to localize the position of point forces for example. From the simple example of an infinite plate, a post-processing based on the reconstruction of the structural intensity field is thus proposed. Finally, Structural Holography is generalized to finite plates and applied to real experimental measurements

Learning to push and learning to move: the adaptive control of contact forces

PubMed Central

Casadio, Maura; Pressman, Assaf; Mussa-Ivaldi, Ferdinando A.

2015-01-01

To be successful at manipulating objects one needs to apply simultaneously well controlled movements and contact forces. We present a computational theory of how the brain may successfully generate a vast spectrum of interactive behaviors by combining two independent processes. One process is competent to control movements in free space and the other is competent to control contact forces against rigid constraints. Free space and rigid constraints are singularities at the boundaries of a continuum of mechanical impedance. Within this continuum, forces and motions occur in “compatible pairs” connected by the equations of Newtonian dynamics. The force applied to an object determines its motion. Conversely, inverse dynamics determine a unique force trajectory from a movement trajectory. In this perspective, we describe motor learning as a process leading to the discovery of compatible force/motion pairs. The learned compatible pairs constitute a local representation of the environment's mechanics. Experiments on force field adaptation have already provided us with evidence that the brain is able to predict and compensate the forces encountered when one is attempting to generate a motion. Here, we tested the theory in the dual case, i.e., when one attempts at applying a desired contact force against a simulated rigid surface. If the surface becomes unexpectedly compliant, the contact point moves as a function of the applied force and this causes the applied force to deviate from its desired value. We found that, through repeated attempts at generating the desired contact force, subjects discovered the unique compatible hand motion. When, after learning, the rigid contact was unexpectedly restored, subjects displayed after effects of learning, consistent with the concurrent operation of a motion control system and a force control system. Together, theory and experiment support a new and broader view of modularity in the coordinated control of forces and motions. PMID:26594163

Advanced methods for controlling untethered magnetic devices using rotating magnetic fields

NASA Astrophysics Data System (ADS)

Mahoney, Arthur W., Jr.

This dissertation presents results documenting advancements on the control of untethered magnetic devices, such as magnetic "microrobots" and magnetically actuated capsule endoscopes, motivated by problems in minimally invasive medicine. This dissertation focuses on applying rotating magnetic fields for magnetic manipulation. The contributions include advancements in the way that helical microswimmers (devices that mimic the propulsion of bacterial flagella) are controlled in the presence of gravitational forces, advancements in ways that groups of untethered magnetic devices can be differentiated and semi-independently controlled, advancements in the way that untethered magnetic device can be controlled with a single rotating permanent magnet, and an improved understanding in the nature of the magnetic force applied to an untethered device by a rotating magnet.

Magnetic force induced tristability for dielectric elastomer actuators

NASA Astrophysics Data System (ADS)

Li, Xin-Qiang; Li, Wen-Bo; Zhang, Wen-Ming; Zou, Hong-Xiang; Peng, Zhi-Ke; Meng, Guang

2017-10-01

This paper presents a novel dielectric elastomer actuator (DEA) with three stable states. By introducing magnetic forces and coupling them with two cone dielectric elastomer (DE) films, an inherent tristability for the DEA is obtained with a compact design. It is easy to switch between the three stable states by controlling the voltages applied to the DE films. A theoretical model of the system’s potential energy that contains the free energy of the DEs and the potential energy of the applied magnetic field was developed for the tristable mechanism. The experimental results demonstrate that controllable transitions between the three stable states can be achieved with this design by applying over-critical voltages to the various DE films. The maximum dynamic range of the DEA can exceed 53.8% of the total length of the device and the DE’s creep speed was accelerated under the action of the magnetic field.

Machine Learning Force Field Parameters from Ab Initio Data

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

Li, Ying; Li, Hui; Pickard, Frank C.

Machine learning (ML) techniques with the genetic algorithm (GA) have been applied to determine a polarizable force field parameters using only ab initio data from quantum mechanics (QM) calculations of molecular clusters at the MP2/6-31G(d,p), DFMP2(fc)/jul-cc-pVDZ, and DFMP2(fc)/jul-cc-pVTZ levels to predict experimental condensed phase properties (i.e., density and heat of vaporization). The performance of this ML/GA approach is demonstrated on 4943 dimer electrostatic potentials and 1250 cluster interaction energies for methanol. Excellent agreement between the training data set from QM calculations and the optimized force field model was achieved. The results were further improved by introducing an offset factor duringmore » the machine learning process to compensate for the discrepancy between the QM calculated energy and the energy reproduced by optimized force field, while maintaining the local “shape” of the QM energy surface. Throughout the machine learning process, experimental observables were not involved in the objective function, but were only used for model validation. The best model, optimized from the QM data at the DFMP2(fc)/jul-cc-pVTZ level, appears to perform even better than the original AMOEBA force field (amoeba09.prm), which was optimized empirically to match liquid properties. The present effort shows the possibility of using machine learning techniques to develop descriptive polarizable force field using only QM data. The ML/GA strategy to optimize force fields parameters described here could easily be extended to other molecular systems.« less

Automation of the CHARMM General Force Field (CGenFF) I: bond perception and atom typing

PubMed Central

Vanommeslaeghe, K.; MacKerell, A. D.

2012-01-01

Molecular mechanics force fields are widely used in computer-aided drug design for the study of drug-like molecules alone or interacting with biological systems. In simulations involving biological macromolecules, the biological part is typically represented by a specialized biomolecular force field, while the drug is represented by a matching general (organic) force field. In order to apply these general force fields to an arbitrary drug-like molecule, functionality for assignment of atom types, parameters and charges is required. In the present article, which is part I of a series of two, we present the algorithms for bond perception and atom typing for the CHARMM General Force Field (CGenFF). The CGenFF atom typer first associates attributes to the atoms and bonds in a molecule, such as valence, bond order, and ring membership among others. Of note are a number of features that are specifically required for CGenFF. This information is then used by the atom typing routine to assign CGenFF atom types based on a programmable decision tree. This allows for straightforward implementation of CGenFF’s complicated atom typing rules and for equally straightforward updating of the atom typing scheme as the force field grows. The presented atom typer was validated by assigning correct atom types on 477 model compounds including in the training set as well as 126 test-set molecules that were constructed to specifically verify its different components. The program may be utilized via an online implementation at https://www.paramchem.org/. PMID:23146088

Automation of the CHARMM General Force Field (CGenFF) I: bond perception and atom typing.

PubMed

Vanommeslaeghe, K; MacKerell, A D

2012-12-21

Molecular mechanics force fields are widely used in computer-aided drug design for the study of drug-like molecules alone or interacting with biological systems. In simulations involving biological macromolecules, the biological part is typically represented by a specialized biomolecular force field, while the drug is represented by a matching general (organic) force field. In order to apply these general force fields to an arbitrary drug-like molecule, functionality for assignment of atom types, parameters, and charges is required. In the present article, which is part I of a series of two, we present the algorithms for bond perception and atom typing for the CHARMM General Force Field (CGenFF). The CGenFF atom typer first associates attributes to the atoms and bonds in a molecule, such as valence, bond order, and ring membership among others. Of note are a number of features that are specifically required for CGenFF. This information is then used by the atom typing routine to assign CGenFF atom types based on a programmable decision tree. This allows for straightforward implementation of CGenFF's complicated atom typing rules and for equally straightforward updating of the atom typing scheme as the force field grows. The presented atom typer was validated by assigning correct atom types on 477 model compounds including in the training set as well as 126 test-set molecules that were constructed to specifically verify its different components. The program may be utilized via an online implementation at https://www.paramchem.org/ .

Ocean Wave Simulation Based on Wind Field

PubMed Central

2016-01-01

Ocean wave simulation has a wide range of applications in movies, video games and training systems. Wind force is the main energy resource for generating ocean waves, which are the result of the interaction between wind and the ocean surface. While numerous methods to handle simulating oceans and other fluid phenomena have undergone rapid development during the past years in the field of computer graphic, few of them consider to construct ocean surface height field from the perspective of wind force driving ocean waves. We introduce wind force to the construction of the ocean surface height field through applying wind field data and wind-driven wave particles. Continual and realistic ocean waves result from the overlap of wind-driven wave particles, and a strategy was proposed to control these discrete wave particles and simulate an endless ocean surface. The results showed that the new method is capable of obtaining a realistic ocean scene under the influence of wind fields at real time rates. PMID:26808718

Ocean Wave Simulation Based on Wind Field.

PubMed

Li, Zhongyi; Wang, Hao

2016-01-01

Ocean wave simulation has a wide range of applications in movies, video games and training systems. Wind force is the main energy resource for generating ocean waves, which are the result of the interaction between wind and the ocean surface. While numerous methods to handle simulating oceans and other fluid phenomena have undergone rapid development during the past years in the field of computer graphic, few of them consider to construct ocean surface height field from the perspective of wind force driving ocean waves. We introduce wind force to the construction of the ocean surface height field through applying wind field data and wind-driven wave particles. Continual and realistic ocean waves result from the overlap of wind-driven wave particles, and a strategy was proposed to control these discrete wave particles and simulate an endless ocean surface. The results showed that the new method is capable of obtaining a realistic ocean scene under the influence of wind fields at real time rates.

Covariant theory of gravitation in the framework of special relativity

NASA Astrophysics Data System (ADS)

Vieira, R. S.; Brentan, H. B.

2018-04-01

In this work, we study the magnetic effects of gravity in the framework of special relativity. Imposing covariance of the gravitational force with respect to the Lorentz transformations, we show from a thought experiment that a magnetic-like force must be present whenever two or more bodies are in motion. The exact expression for this gravitomagnetic force is then derived purely from special relativity and the consequences of such a covariant theory are developed. For instance, we show that the gravitomagnetic fields satisfy a system of differential equations similar to the Maxwell equations of electrodynamics. This implies that the gravitational waves spread out with the speed of light in a flat spacetime, which is in agreement with the recent results concerning the gravitational waves detection. We also propose that the vector potential can be associated with the interaction momentum in the same way as the scalar potential is usually associated with the interaction energy. Other topics are also discussed, for example, the transformation laws for the fields, the energy and momentum stored in the gravitomagnetic fields, the invariance of the gravitational mass and so on. We remark that is not our intention here to propose an alternative theory of gravitation but, rather, only a first approximation for the gravitational phenomena, so that it can be applied whenever the gravitational force can be regarded as an ordinary effective force field and special relativity can be used with safety. To make this point clear we present briefly a comparison between our approach and that based on the (linearized) Einstein's theory. Finally, we remark that although we have assumed nothing from the electromagnetic theory, we found that gravity and electricity share many properties in common -these similarities, in fact, are just a requirement of special relativity that must apply to any physically acceptable force field.

Direct numerical simulation of the effect of an electric field on flame stability

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

Belhi, Memdouh; Domingo, Pascale; Vervisch, Pierre

2010-12-15

The role of electric fields in stabilising combustion is a well-known phenomenon. Among the possible mechanisms favouring the anchorage of the flame base, the ion-driven wind acting directly on flow momentum ahead of the flame base could be the leading one. Direct numerical simulation has been used to verify this hypothesis and lead to a better understanding of diffusion flame base anchoring in the presence of an externally applied voltage. In this context, a simplified modelling approach is proposed to describe combustion in the presence of electric body forces. The model reproduces the tendencies of experimental observations found in themore » literature. The sensitivity of the flame lift-off height to the applied voltage is studied and the modification of the velocity field ahead of the flame base induced by the electric volume forces is highlighted. (author)« less

Angular momentum and torque described with the complex octonion

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

Weng, Zi-Hua, E-mail: xmuwzh@xmu.edu.cn

2014-08-15

The paper aims to adopt the complex octonion to formulate the angular momentum, torque, and force etc in the electromagnetic and gravitational fields. Applying the octonionic representation enables one single definition of angular momentum (or torque, force) to combine some physics contents, which were considered to be independent of each other in the past. J. C. Maxwell used simultaneously two methods, the vector terminology and quaternion analysis, to depict the electromagnetic theory. It motivates the paper to introduce the quaternion space into the field theory, describing the physical feature of electromagnetic and gravitational fields. The spaces of electromagnetic field andmore » of gravitational field can be chosen as the quaternion spaces, while the coordinate component of quaternion space is able to be the complex number. The quaternion space of electromagnetic field is independent of that of gravitational field. These two quaternion spaces may compose one octonion space. Contrarily, one octonion space can be separated into two subspaces, the quaternion space and S-quaternion space. In the quaternion space, it is able to infer the field potential, field strength, field source, angular momentum, torque, and force etc in the gravitational field. In the S-quaternion space, it is capable of deducing the field potential, field strength, field source, current continuity equation, and electric (or magnetic) dipolar moment etc in the electromagnetic field. The results reveal that the quaternion space is appropriate to describe the gravitational features, including the torque, force, and mass continuity equation etc. The S-quaternion space is proper to depict the electromagnetic features, including the dipolar moment and current continuity equation etc. In case the field strength is weak enough, the force and the continuity equation etc can be respectively reduced to that in the classical field theory.« less

Motion of small bodies in classical field theory

NASA Astrophysics Data System (ADS)

Gralla, Samuel E.

2010-04-01

I show how prior work with R. Wald on geodesic motion in general relativity can be generalized to classical field theories of a metric and other tensor fields on four-dimensional spacetime that (1) are second-order and (2) follow from a diffeomorphism-covariant Lagrangian. The approach is to consider a one-parameter-family of solutions to the field equations satisfying certain assumptions designed to reflect the existence of a body whose size, mass, and various charges are simultaneously scaled to zero. (That such solutions exist places a further restriction on the class of theories to which our results apply.) Assumptions are made only on the spacetime region outside of the body, so that the results apply independent of the body’s composition (and, e.g., black holes are allowed). The worldline “left behind” by the shrinking, disappearing body is interpreted as its lowest-order motion. An equation for this worldline follows from the “Bianchi identity” for the theory, without use of any properties of the field equations beyond their being second-order. The form of the force law for a theory therefore depends only on the ranks of its various tensor fields; the detailed properties of the field equations are relevant only for determining the charges for a particular body (which are the “monopoles” of its exterior fields in a suitable limiting sense). I explicitly derive the force law (and mass-evolution law) in the case of scalar and vector fields, and give the recipe in the higher-rank case. Note that the vector force law is quite complicated, simplifying to the Lorentz force law only in the presence of the Maxwell gauge symmetry. Example applications of the results are the motion of “chameleon” bodies beyond the Newtonian limit, and the motion of bodies in (classical) non-Abelian gauge theory. I also make some comments on the role that scaling plays in the appearance of universality in the motion of bodies.

Wave propagation characteristics of a magnetic granular chain

NASA Astrophysics Data System (ADS)

Leng, Dingxin; Liu, Guijie; Sun, Lingyu; Wang, Xiaojie

2017-10-01

We investigate the wave propagation characteristics of a horizontal alignment of magnetic grains under a non-uniform magnetic field. The magnetic force of each grain is obtained using Maxwell's principle. The contact interaction of grains is based on Hertz potential. The effects of magnetic field strength on the dynamic responses of a granular chain under strong, intermediate, and weak amplitudes of incident impulses in comparison with static precompression force are studied. Different wave propagation modes induced by the magnetic field are observed. The applied field strength demonstrably reinforces the granular-position-dependent behaviors of decreasing amplitude and increasing wave propagation velocity. The magnetic field-induced features of a magnetic granular chain have potential applications in adaptive structures for shock attenuation.

A simulation of dielectrophoresis force actuated liquid lens

NASA Astrophysics Data System (ADS)

Yao, Xiaoyin; Xia, Jun

2009-11-01

Dielectrophoresis (DEP) and electrowetting on dielectric (EWOD) are based on the electrokinetic mechanisms which have great potential in microfluidic manipulation. DEP dominate the movement of particles induced by polarization effects in nonuniform electric field ,while EWOD has become one of the most widely used tools for manipulating tiny amounts of liquids on solid surfaces. Liquid lens driven by EWOD have been well studied and developed. But liquid lens driven by DEP has not been studied adequately. This paper focuses on modeling liquid lens driven by DEP force. A simulation of DEP driven droplet dynamics was performed by coupling of the electrostatic field and the two-phase flow field. Two incompressible and dielectric liquids with different permittivity were chosen in the two-phase flow field. The DEP force density, in direct proportion to gradient of the square of the electric field intensity, was used as a body force density in Navier-Stokes equation. When voltage applied, the liquid with high permittivity flowed to the place where the gradient of the square of the electric field intensity was higher, and thus change the curvature of interface between two immiscible liquid. The differences between DEP and EWOD liquid lens were also presented.

Design Optimisation of a Magnetic Field Based Soft Tactile Sensor

PubMed Central

Raske, Nicholas; Kow, Junwai; Alazmani, Ali; Ghajari, Mazdak; Culmer, Peter; Hewson, Robert

2017-01-01

This paper investigates the design optimisation of a magnetic field based soft tactile sensor, comprised of a magnet and Hall effect module separated by an elastomer. The aim was to minimise sensitivity of the output force with respect to the input magnetic field; this was achieved by varying the geometry and material properties. Finite element simulations determined the magnetic field and structural behaviour under load. Genetic programming produced phenomenological expressions describing these responses. Optimisation studies constrained by a measurable force and stable loading conditions were conducted; these produced Pareto sets of designs from which the optimal sensor characteristics were selected. The optimisation demonstrated a compromise between sensitivity and the measurable force, a fabricated version of the optimised sensor validated the improvements made using this methodology. The approach presented can be applied in general for optimising soft tactile sensor designs over a range of applications and sensing modes. PMID:29099787

Calculation of the radial electric field with RF sheath boundary conditions in divertor geometry

NASA Astrophysics Data System (ADS)

Gui, B.; Xia, T. Y.; Xu, X. Q.; Myra, J. R.; Xiao, X. T.

2018-02-01

The equilibrium electric field that results from an imposed DC bias potential, such as that driven by a radio frequency (RF) sheath, is calculated using a new minimal two-field model in the BOUT++ framework. Biasing, using an RF-modified sheath boundary condition, is applied to an axisymmetric limiter, and a thermal sheath boundary is applied to the divertor plates. The penetration of the bias potential into the plasma is studied with a minimal self-consistent model that includes the physics of vorticity (charge balance), ion polarization currents, force balance with E× B , ion diamagnetic flow (ion pressure gradient) and parallel electron charge loss to the thermal and biased sheaths. It is found that a positive radial electric field forms in the scrape-off layer and it smoothly connects across the separatrix to the force-balanced radial electric field in the closed flux surface region. The results are in qualitative agreement with the experiments. Plasma convection related to the E× B net flow in front of the limiter is also obtained from the calculation.

Extreme storm surge modelling in the North Sea. The role of the sea state, forcing frequency and spatial forcing resolution

NASA Astrophysics Data System (ADS)

Ridder, Nina; de Vries, Hylke; Drijfhout, Sybren; van den Brink, Henk; van Meijgaard, Erik; de Vries, Hans

2018-02-01

This study shows that storm surge model performance in the North Sea is mostly unaffected by the application of temporal variations of surface drag due to changes in sea state provided the choice of a suitable constant Charnock parameter in the sea-state-independent case. Including essential meteorological features on smaller scales and minimising interpolation errors by increasing forcing data resolution are shown to be more important for the improvement of model performance particularly at the high tail of the probability distribution. This is found in a modelling study using WAQUA/DCSMv5 by evaluating the influence of a realistic air-sea momentum transfer parameterization and comparing it to the influence of changes in the spatial and temporal resolution of the applied forcing fields in an effort to support the improvement of impact and climate analysis studies. Particular attention is given to the representation of extreme water levels over the past decades based on the example of the Netherlands. For this, WAQUA/DCSMv5 is forced with ERA-Interim reanalysis data. Model results are obtained from a set of different forcing fields, which either (i) include a wave-state-dependent Charnock parameter or (ii) apply a constant Charnock parameter ( α C h = 0.032) tuned for young sea states in the North Sea, but differ in their spatial and/or temporal resolution. Increasing forcing field resolution from roughly 79 to 12 km through dynamically downscaling can reduce the modelled low bias, depending on coastal station, by up to 0.25 m for the modelled extreme water levels with a 1-year return period and between 0.1 m and 0.5 m for extreme surge heights.

Friction laws at the nanoscale.

PubMed

Mo, Yifei; Turner, Kevin T; Szlufarska, Izabela

2009-02-26

Macroscopic laws of friction do not generally apply to nanoscale contacts. Although continuum mechanics models have been predicted to break down at the nanoscale, they continue to be applied for lack of a better theory. An understanding of how friction force depends on applied load and contact area at these scales is essential for the design of miniaturized devices with optimal mechanical performance. Here we use large-scale molecular dynamics simulations with realistic force fields to establish friction laws in dry nanoscale contacts. We show that friction force depends linearly on the number of atoms that chemically interact across the contact. By defining the contact area as being proportional to this number of interacting atoms, we show that the macroscopically observed linear relationship between friction force and contact area can be extended to the nanoscale. Our model predicts that as the adhesion between the contacting surfaces is reduced, a transition takes place from nonlinear to linear dependence of friction force on load. This transition is consistent with the results of several nanoscale friction experiments. We demonstrate that the breakdown of continuum mechanics can be understood as a result of the rough (multi-asperity) nature of the contact, and show that roughness theories of friction can be applied at the nanoscale.

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

NASA Astrophysics Data System (ADS)

Usatenko, Zoryana

2014-09-01

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

Study of adhesion of vertically aligned carbon nanotubes to a substrate by atomic-force microscopy

NASA Astrophysics Data System (ADS)

Ageev, O. A.; Blinov, Yu. F.; Il'ina, M. V.; Il'in, O. I.; Smirnov, V. A.; Tsukanova, O. G.

2016-02-01

The adhesion to a substrate of vertically aligned carbon nanotubes (VA CNT) produced by plasmaenhanced chemical vapor deposition has been experimentally studied by atomic-force microscopy in the current spectroscopy mode. The longitudinal deformation of VA CNT by applying an external electric field has been simulated. Based on the results, a technique of determining VA CNT adhesion to a substrate has been developed that is used to measure the adhesion strength of connecting VA CNT to a substrate. The adhesion to a substrate of VA CNT 70-120 nm in diameter varies from 0.55 to 1.19 mJ/m2, and the adhesion force from 92.5 to 226.1 nN. When applying a mechanical load, the adhesion strength of the connecting VA CNT to a substrate is 714.1 ± 138.4 MPa, and the corresponding detachment force increases from 1.93 to 10.33 μN with an increase in the VA CNT diameter. As an external electric field is applied, the adhesion strength is almost doubled and is 1.43 ± 0.29 GPa, and the corresponding detachment force is changed from 3.83 to 20.02 μN. The results can be used in the design of technological processes of formation of emission structures, VA CNT-based elements for vacuum microelectronics and micro- and nanosystem engineering, and also the methods of probe nanodiagnostics of VA CNT.

Force-free magnetic fields - The magneto-frictional method

NASA Technical Reports Server (NTRS)

Yang, W. H.; Sturrock, P. A.; Antiochos, S. K.

1986-01-01

The problem under discussion is that of calculating magnetic field configurations in which the Lorentz force j x B is everywhere zero, subject to specified boundary conditions. We choose to represent the magnetic field in terms of Clebsch variables in the form B = grad alpha x grad beta. These variables are constant on any field line so that each field line is labeled by the corresponding values of alpha and beta. When the field is described in this way, the most appropriate choice of boundary conditions is to specify the values of alpha and beta on the bounding surface. We show that such field configurations may be calculated by a magneto-frictional method. We imagine that the field lines move through a stationary medium, and that each element of magnetic field is subject to a frictional force parallel to and opposing the velocity of the field line. This concept leads to an iteration procedure for modifying the variables alpha and beta, that tends asymptotically towards the force-free state. We apply the method first to a simple problem in two rectangular dimensions, and then to a problem of cylindrical symmetry that was previously discussed by Barnes and Sturrock (1972). In one important respect, our new results differ from the earlier results of Barnes and Sturrock, and we conclude that the earlier article was in error.

Chiral EFT based nuclear forces: achievements and challenges

NASA Astrophysics Data System (ADS)

Machleidt, R.; Sammarruca, F.

2016-08-01

During the past two decades, chiral effective field theory has become a popular tool to derive nuclear forces from first principles. Two-nucleon interactions have been worked out up to sixth order of chiral perturbation theory and three-nucleon forces up to fifth order. Applications of some of these forces have been conducted in nuclear few- and many-body systems—with a certain degree of success. But in spite of these achievements, we are still faced with great challenges. Among them is the issue of a proper uncertainty quantification of predictions obtained when applying these forces in ab initio calculations of nuclear structure and reactions. A related problem is the order by order convergence of the chiral expansion. We start this review with a pedagogical introduction and then present the current status of the field of chiral nuclear forces. This is followed by a discussion of representative examples for the application of chiral two- and three-body forces in the nuclear many-body system including convergence issues.

Periodic perturbations with rotational symmetry of planar systems driven by a central force

NASA Astrophysics Data System (ADS)

Fonda, Alessandro; Gallo, Anna Chiara

2018-06-01

We consider periodic perturbations of a central force field having a rotational symmetry, and prove the existence of nearly circular periodic orbits. We thus generalize, in the planar case, some previous bifurcation results obtained by Ambrosetti and Coti Zelati in [1]. Our results apply, in particular, to the classical Kepler problem.

Sensitivity of the Carolina Coastal Ocean Circulation to Open Boundary and Atmospheric Forcing

NASA Astrophysics Data System (ADS)

Liu, X.; Xie, L.; Pietrafesa, L.

2003-12-01

The ocean circulation on the continental shelf off the Carolina coast is characterized by a complex flow regime and temporal variability, which is influenced by atmospheric forcing, the Gulf Stream system, complex coastline and bathymetry, river discharge and tidal forcing. In this study, a triple-nested, HYbrid Coordinate Ocean Model (HYCOM) is used to simulate the coastal ocean circulation on the continental shelf off the Carolina coast and its interactions with the offshore large-scale ocean circulation system. The horizontal mesh size in the innermost domain was set to 1 km, whereas the outermost domain coincides with the near real-time 1/12­’ Atlantic HYCOM Nowcast/Forecast System operated at the Naval Research Laboratory. The intermediate domain uses a mesh size of 3 km. Atmospheric forcing fields for the Carolina coastal region are derived from the NOAA operational ETA model, the ECMWF reanalysis fields and NCEP/NCAR reanalysis fields. These forcing fields are derived at 0.8›¦, 1.125›¦ and 1.875›¦ resolutions, and at intervals of 6 hour, daily and monthly. The sensitivity of the model results to the spatial and temporal resolution of the atmospheric forcing fields is analyzed. To study the dependence of the model sensitivity on the model grid size, single-window simulations at resolutions of 1km, 3km and 9km are carried out using the same forcing fields that were applied to the nested system. Comparisons between the nested and the single domain simulation results will be presented.

Maglev performance of a double-layer bulk high temperature superconductor above a permanent magnet guideway

NASA Astrophysics Data System (ADS)

Deng, Z.; Wang, J.; Zheng, J.; Lin, Q.; Zhang, Y.; Wang, S.

2009-05-01

In order to improve the performance of the present high temperature superconducting (HTS) maglev vehicle system, the maglev performance of single- and double-layer bulk high temperature superconductors (HTSC) was investigated above a permanent magnet guideway (PMG). It is found that the maglev performance of a double-layer bulk HTSC is not a simple addition of each layer's levitation and guidance force. Moreover, the applied magnetic field at the position of the upper layer bulk HTSC is not completely shielded by the lower layer bulk HTSC either. 53.5% of the levitation force and 27.5% of the guidance force of the upper layer bulk HTSC are excited in the double-layer bulk HTSC arrangement in the applied field-cooling condition and working gap, bringing a corresponding improvement of 16.9% and 8.8% to the conventional single-layer bulk HTSC. The present research implies that the cost performance of upper layer bulk HTSC is a little low for the whole HTS maglev system.

Design of Interactively Time-Pulsed Microfluidic Mixers in Microchips using Numerical Simulation

NASA Astrophysics Data System (ADS)

Fu, Lung-Ming; Tsai, Chien-Hsiung

2007-01-01

In this paper, we propose a novel technique in which driving voltages are applied interactively to the respective inlet fluid flows of three configurations of a microfluidic device, namely T-shaped, double-T-shaped, and double-cross-shaped configurations, to induce electroosmotic flow (EOF) velocity variations in such a way as to develop a rapid mixing effect in the microchannel. In these configurations a microfluidic mixer apply only one electrokinetic driving force, which drives the sample fluids and simultaneously produces a periodic switching frequency. It requires no other external driving force to induce perturbations to the flow field. The effects of the main applied electric field, the interactive frequency, and the pullback electric field on the mixing performance are thoroughly examined numerically. The optimal interactive frequency range for a given set of micromixer parameters is identified for each type of control mode. The numerical results confirm that micromixers operating at an optimal interactive frequency are capable of delivering a significantly enhanced mixing performance. Furthermore, it is shown that the optimal interactive frequency depends upon the magnitude of the main applied electric field. The interactively pulsed mixers developed in this study have a strong potential for use in lab-on-a-chip systems. They involve a simpler fabrication process than either passive or active on-chip mixers and require less human intervention in operation than their bulky external counterparts.

Towards an on-chip platform for the controlled application of forces via magnetic particles: A novel device for mechanobiology

NASA Astrophysics Data System (ADS)

Monticelli, M.; Albisetti, E.; Petti, D.; Conca, D. V.; Falcone, M.; Sharma, P. P.; Bertacco, R.

2015-05-01

In-vitro tests and analyses are of fundamental importance for investigating biological mechanisms in cells and bio-molecules. The controlled application of forces to activate specific bio-pathways and investigate their effects, mimicking the role of the cellular environment, is becoming a prominent approach in this field. In this work, we present a non-invasive magnetic on-chip platform which allows for the manipulation of magnetic particles, through micrometric magnetic conduits of Permalloy patterned on-chip. We show, from simulations and experiments, that this technology permits to exert a finely controlled force on magnetic beads along the chip surface. This force can be tuned from few to hundreds pN by applying a variable external magnetic field.

Flow cytometer

DOEpatents

Van den Engh, G.

1995-11-07

A Faraday cage is described which encloses the flow chamber of a cytometer. Ground planes associated with each field deflection plate inhibit electric fields from varying the charge on designated events/droplets and further concentrates. They also increase forces applied to a passing charged event for accurate focus while concomitantly inhibiting a potential shock hazard. 4 figs.

EVALUATION OF THE AGDISP AERIAL SPRAY ALGORITHMS IN THE AGDRIFT MODEL

EPA Science Inventory

A systematic evaluation of the AgDISP algorithms, which simulate off-site drift and deposition of aerially applied pesticides, contained in the AgDRIFT model was performed by comparing model simulations to field-trial data collected by the Spray Drift Task Force. Field-trial data...

Flow cytometer

DOEpatents

van den Engh, Ger

1995-01-01

A Faraday cage enclosing the flow chamber of a cytometer and ground planes associated with each field deflection plate in concert therewith inhibit electric fields from varying the charge on designated events/droplets and further concentrates and increases forces applied to a charged event passing therethrough for accurate focus thereof while concomitantly inhibiting a potential shock hazard.

Magnetic Control of Concentration Gradient in Microgravity

NASA Technical Reports Server (NTRS)

Leslie, Fred; Ramachandran, Narayanan

2005-01-01

A report describes a technique for rapidly establishing a fluid-concentration gradient that can serve as an initial condition for an experiment on solutal instabilities associated with crystal growth in microgravity. The technique involves exploitation of the slight attractive or repulsive forces exerted on most fluids by a magnetic-field gradient. Although small, these forces can dominate in microgravity and therefore can be used to hold fluids in position in preparation for an experiment. The magnetic field is applied to a test cell, while a fluid mixture containing a concentration gradient is prepared by introducing an undiluted solution into a diluting solution in a mixing chamber. The test cell is then filled with the fluid mixture. Given the magnetic susceptibilities of the undiluted and diluting solutions, the magnetic-field gradient must be large enough that the magnetic force exceeds both (1) forces associated with the flow of the fluid mixture during filling of the test cell and (2) forces imposed by any residual gravitation and fluctuations thereof. Once the test cell has been filled with the fluid mixture, the magnetic field is switched off so that the experiment can proceed, starting from the proper initial conditions.

Hybrid immersed interface-immersed boundary methods for AC dielectrophoresis

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

Hossan, Mohammad Robiul; Department of Engineering and Physics, University of Central Oklahoma, Edmond, OK 73034-5209; Dillon, Robert

2014-08-01

Dielectrophoresis, a nonlinear electrokinetic transport mechanism, has become popular in many engineering applications including manipulation, characterization and actuation of biomaterials, particles and biological cells. In this paper, we present a hybrid immersed interface–immersed boundary method to study AC dielectrophoresis where an algorithm is developed to solve the complex Poisson equation using a real variable formulation. An immersed interface method is employed to obtain the AC electric field in a fluid media with suspended particles and an immersed boundary method is used for the fluid equations and particle transport. The convergence of the proposed algorithm as well as validation of themore » hybrid scheme with experimental results is presented. In this paper, the Maxwell stress tensor is used to calculate the dielectrophoretic force acting on particles by considering the physical effect of particles in the computational domain. Thus, this study eliminates the approximations used in point dipole methods for calculating dielectrophoretic force. A comparative study between Maxwell stress tensor and point dipole methods for computing dielectrophoretic forces are presented. The hybrid method is used to investigate the physics of dielectrophoresis in microfluidic devices using an AC electric field. The numerical results show that with proper design and appropriate selection of applied potential and frequency, global electric field minima can be obtained to facilitate multiple particle trapping by exploiting the mechanism of negative dielectrophoresis. Our numerical results also show that electrically neutral particles form a chain parallel to the applied electric field irrespective of their initial orientation when an AC electric field is applied. This proposed hybrid numerical scheme will help to better understand dielectrophoresis and to design and optimize microfluidic devices.« less

Large Electric Field-Enhanced-Hardness Effect in a SiO2 Film

NASA Astrophysics Data System (ADS)

Revilla, Reynier I.; Li, Xiao-Jun; Yang, Yan-Lian; Wang, Chen

2014-03-01

Silicon dioxide films are extensively used in nano and micro-electromechanical systems. Here we studied the influence of an external electric field on the mechanical properties of a SiO2 film by using nanoindentation technique of atomic force microscopy (AFM) and friction force microscopy (FFM). A giant augmentation of the relative elastic modulus was observed by increasing the localized electric field. A slight decrease in friction coefficients was also clearly observed by using FFM with the increase of applied tip voltage. The reduction of the friction coefficients is consistent with the great enhancement of sample hardness by considering the indentation-induced deformation during the friction measurements.

Determination of Coronal Magnetic Fields from Vector Magnetograms

NASA Technical Reports Server (NTRS)

Mikic, Zoran

1997-01-01

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

Implementation of a Serial Replica Exchange Method in a Physics-Based United-Residue (UNRES) Force Field

PubMed Central

Shen, Hujun; Czaplewski, Cezary; Liwo, Adam; Scheraga, Harold A.

2009-01-01

The kinetic-trapping problem in simulating protein folding can be overcome by using a Replica Exchange Method (REM). However, in implementing REM in molecular dynamics simulations, synchronization between processors on parallel computers is required, and communication between processors limits its ability to sample conformational space in a complex system efficiently. To minimize communication between processors during the simulation, a Serial Replica Exchange Method (SREM) has been proposed recently by Hagan et al. (J. Phys. Chem. B 2007, 111, 1416–1423). Here, we report the implementation of this new SREM algorithm with our physics-based united-residue (UNRES) force field. The method has been tested on the protein 1E0L with a temperature-independent UNRES force field and on terminally blocked deca-alanine (Ala10) and 1GAB with the recently introduced temperature-dependent UNRES force field. With the temperature-independent force field, SREM reproduces the results of REM but is more efficient in terms of wall-clock time and scales better on distributed-memory machines. However, exact application of SREM to the temperature-dependent UNRES algorithm requires the determination of a four-dimensional distribution of UNRES energy components instead of a one-dimensional energy distribution for each temperature, which is prohibitively expensive. Hence, we assumed that the temperature dependence of the force field can be ignored for neighboring temperatures. This version of SREM worked for Ala10 which is a simple system but failed to reproduce the thermodynamic results as well as regular REM on the more complex 1GAB protein. Hence, SREM can be applied to the temperature-independent but not to the temperature-dependent UNRES force field. PMID:20011673

Vibration analysis and experiment of giant magnetostrictive force sensor

NASA Astrophysics Data System (ADS)

Zhu, Zhiwen; Liu, Fang; Zhu, Xingqiao; Wang, Haibo; Xu, Jia

2017-12-01

In this paper, a kind of giant magnetostrictive force sensor is proposed, ans its magneto-mechanical coupled model is developed. The relationship between output voltage of giant magnetostrictive force sensor and input excitation force is obtained. The phenomena of accuracy aggravation in high frequency and delay of giant magnetostrictive sensor are explained. The experimental results show that the model can describe the actual response of giant magnetostrictive force sensor. The new model of giant magnetostrictive sensor has simple form and is easy to be analyzed in theory, which is helpful to be applied in measuring and control fields.

Numerical and experimental study of the effect of the induced electric potential in Lorentz force velocimetry

NASA Astrophysics Data System (ADS)

Hernández, Daniel; Boeck, Thomas; Karcher, Christian; Wondrak, Thomas

2018-01-01

Lorentz force velocimetry (LFV) is a contactless velocity measurement technique for electrically conducting fluids. When a liquid metal or a molten glass flows through an externally applied magnetic field, eddy currents and a flow-braking force are generated inside the liquid. This force is proportional to the velocity or flow rate of the fluid and, due to Newton’s third law, a force of the same magnitude but in opposite direction acts on the source of the applied magnetic field which in our case are permanent magnets. According to Ohm’s law for moving conductors at low magnetic Reynolds numbers, an electric potential is induced which ensures charge conservation. In this paper, we analyze the contribution of the induced electric potential to the total Lorentz force by considering two different scenarios: conducting walls of finite thickness and aspect ratio variation of the cross-section of the flow. In both the cases, the force component generated by the electric potential is always in the opposite direction to the total Lorentz force. This force component is sensitive to the electric boundary conditions of the flow of which insulating and perfectly conducting walls are the two limiting cases. In the latter case, the overall electric resistance of the system is minimized, resulting in a considerable increase in the measured Lorentz force. Additionally, this force originating from the electric potential also decays when the aspect ratio of the cross-section of the flow is changed. Hence, the sensitivity of the measurement technique is enhanced by either increasing wall conductivity or optimizing the aspect ratio of the cross-section of the flow.

Determination of the protonation state of the Asp dyad: conventional molecular dynamics versus thermodynamic integration.

PubMed

Huang, Jinfeng; Zhu, Yali; Sun, Bin; Yao, Yuan; Liu, Junjun

2016-03-01

The protonation state of the Asp dyad is important as it can reveal enzymatic mechanisms, and the information this provides can be used in the development of drugs for proteins such as memapsin 2 (BACE-1), HIV-1 protease, and rennin. Conventional molecular dynamics (MD) simulations have been successfully used to determine the preferred protonation state of the Asp dyad. In the present work, we demonstrate that the results obtained from conventional MD simulations can be greatly influenced by the particular force field applied or the values used for control parameters. In principle, free-energy changes between possible protonation states can be used to determine the protonation state. We show that protonation state prediction by the thermodynamic integration (TI) method is insensitive to force field version or to the cutoff for calculating nonbonded interactions (a control parameter). In the present study, the protonation state of the Asp dyad predicted by TI calculations was the same regardless of the force field and cutoff value applied. Contrary to the intuition that conventional MD is more efficient, our results clearly show that the TI method is actually more efficient and more reliable for determining the protonation state of the Asp dyad.

Fracture analysis for a penny-shaped crack problem of a superconducting cylinder in a parallel magnetic field

NASA Astrophysics Data System (ADS)

Gao, S. W.; Feng, W. J.; Fang, X. Q.; Zhang, G. L.

2014-11-01

In this work, the penny-shaped crack problem is investigated for an infinite long superconducting cylinder under electromagnetic forces. The distributions of magnetic flux density in the superconducting cylinder are obtained analytically for both the zero-field cooling (ZFC) and the field cooling (FC) activation processes, where the magnetically impermeable crack surface condition and the Bean model outside the crack region are adopted. Based on the finite element method (FEM), the stress intensity factor (SIF) and energy release rate (ERR) at the crack tips in the process of field descent are further numerically calculated. Numerical results obtained show that according to the maximal energy release rate criterion, the FC process is generally easier to enhance crack initiation and propagation than the ZFC activation process. On the other hand, for the FC activation process, the larger the maximal applied magnetic field, more likely the crack propagates. Additionally, crack size has important and slightly different effects on the crack extension forces for the ZFC and FC cases. Thus, all of the activation processes, the applied field and the diameter of the penny-shaped crack have significant effects on the intensity analysis and design of superconducting materials.

Assembly of Colloidal Aggregates by Electrohydrodynamic Flow: Kinetic Experiments and Scaling Analysis

NASA Technical Reports Server (NTRS)

Ristenpart, W. D.; Aksay, I. A.; Saville, D. A.

2004-01-01

Electric fields generate transverse flows near electrodes that sweep colloidal particles into densely packed assemblies. We interpret this behavior in terms of electrohydrodynamic motion stemming from distortions of the field by the particles that alter the body force distribution in the electrode charge polarization layer. A scaling analysis shows how the action of the applied electric field generates fluid motion that carries particles toward one another. The resulting fluid velocity is proportional to the square of the applied field and decreases inversely with frequency. Experimental measurements of the particle aggregation rate accord with the electrohydrodynamic theory over a wide range of voltages and frequencies.

Effect of rotating electric field on 3D complex (dusty) plasma

NASA Astrophysics Data System (ADS)

Wörner, L.; Nosenko, V.; Ivlev, A. V.; Zhdanov, S. K.; Thomas, H. M.; Morfill, G. E.; Kroll, M.; Schablinski, J.; Block, D.

2011-06-01

The effect of rotating electric field on 3D particle clusters suspended in rf plasma was studied experimentally. Spheroidal clusters were suspended inside a glass box mounted on the lower horizontal rf electrode, with gravity partially balanced by thermophoretic force. Clusters rotated in the horizontal plane, in response to rotating electric field that was created inside the box using conducting coating on its inner surfaces ("rotating wall" technique). Cluster rotation was always in the direction of applied field and had a shear in the vertical direction. The angular speed of rotation was 104-107 times lower than applied frequency. The experiment is compared to a recent theory.

Magnetic levitation system for moving objects

DOEpatents

Post, R.F.

1998-03-03

Repelling magnetic forces are produced by the interaction of a flux-concentrated magnetic field (produced by permanent magnets or electromagnets) with an inductively loaded closed electric circuit. When one such element moves with respect to the other, a current is induced in the circuit. This current then interacts back on the field to produce a repelling force. These repelling magnetic forces are applied to magnetically levitate a moving object such as a train car. The power required to levitate a train of such cars is drawn from the motional energy of the train itself, and typically represents only a percent or two of the several megawatts of power required to overcome aerodynamic drag at high speeds. 7 figs.

Magnetic levitation system for moving objects

DOEpatents

Post, Richard F.

1998-01-01

Repelling magnetic forces are produced by the interaction of a flux-concentrated magnetic field (produced by permanent magnets or electromagnets) with an inductively loaded closed electric circuit. When one such element moves with respect to the other, a current is induced in the circuit. This current then interacts back on the field to produce a repelling force. These repelling magnetic forces are applied to magnetically levitate a moving object such as a train car. The power required to levitate a train of such cars is drawn from the motional energy of the train itself, and typically represents only a percent or two of the several megawatts of power required to overcome aerodynamic drag at high speeds.

The effect of spatial discretization upon traveling wave body forcing of a turbulent wall-bounded flow

NASA Astrophysics Data System (ADS)

You, Soyoung; Goldstein, David

2015-11-01

DNS is employed to simulate turbulent channel flow subject to a traveling wave body force field near the wall. The regions in which forces are applied are made progressively more discrete in a sequence of simulations to explore the boundaries between the effects of discrete flow actuators and spatially continuum actuation. The continuum body force field is designed to correspond to the ``optimal'' resolvent mode of McKeon and Sharma (2010), which has the L2 norm of σ1. That is, the normalized harmonic forcing that gives the largest disturbance energy is the first singular mode with the gain of σ1. 2D and 3D resolvent modes are examined at a modest Reτ of 180. For code validation, nominal flow simulations without discretized forcing are compared to previous work by Sharma and Goldstein (2014) in which we find that as we increase the forcing amplitude there is a decrease in the mean velocity and an increase in turbulent kinetic energy. The same force field is then sampled into isolated sub-domains to emulate the effect of discrete physical actuators. Several cases will be presented to explore the dependencies between the level of discretization and the turbulent flow behavior.

Quantification of in-contact probe-sample electrostatic forces with dynamic atomic force microscopy.

PubMed

Balke, Nina; Jesse, Stephen; Carmichael, Ben; Okatan, M Baris; Kravchenko, Ivan I; Kalinin, Sergei V; Tselev, Alexander

2017-01-04

Atomic force microscopy (AFM) methods utilizing resonant mechanical vibrations of cantilevers in contact with a sample surface have shown sensitivities as high as few picometers for detecting surface displacements. Such a high sensitivity is harnessed in several AFM imaging modes. Here, we demonstrate a cantilever-resonance-based method to quantify electrostatic forces on a probe in the probe-sample junction in the presence of a surface potential or when a bias voltage is applied to the AFM probe. We find that the electrostatic forces acting on the probe tip apex can produce signals equivalent to a few pm of surface displacement. In combination with modeling, the measurements of the force were used to access the strength of the electrical field at the probe tip apex in contact with a sample. We find an evidence that the electric field strength in the junction can reach ca. 1 V nm -1 at a bias voltage of a few volts and is limited by non-ideality of the tip-sample contact. This field is sufficiently strong to significantly influence material states and kinetic processes through charge injection, Maxwell stress, shifts of phase equilibria, and reduction of energy barriers for activated processes. Besides, the results provide a baseline for accounting for the effects of local electrostatic forces in electromechanical AFM measurements as well as offer additional means to probe ionic mobility and field-induced phenomena in solids.

Compact variable-temperature scanning force microscope.

PubMed

Chuang, Tien-Ming; de Lozanne, Alex

2007-05-01

A compact design for a cryogenic variable-temperature scanning force microscope using a fiber-optic interferometer to measure cantilever deflection is presented. The tip-sample coarse approach and the lateral tip positioning are performed by piezoelectric positioners in situ. The microscope has been operated at temperatures between 6 and 300 K. It is designed to fit into an 8 T superconducting magnet with the field applied in the out-of-plane direction. The results of scanning in various modes are demonstrated, showing contrast based on magnetic field gradients or surface potentials.

Radiation force of an arbitrary acoustic beam on an elastic sphere in a fluid

PubMed Central

Sapozhnikov, Oleg A.; Bailey, Michael R.

2013-01-01

A theoretical approach is developed to calculate the radiation force of an arbitrary acoustic beam on an elastic sphere in a liquid or gas medium. First, the incident beam is described as a sum of plane waves by employing conventional angular spectrum decomposition. Then, the classical solution for the scattering of a plane wave from an elastic sphere is applied for each plane-wave component of the incident field. The net scattered field is expressed as a superposition of the scattered fields from all angular spectrum components of the incident beam. With this formulation, the incident and scattered waves are superposed in the far field to derive expressions for components of the radiation stress tensor. These expressions are then integrated over a spherical surface to analytically describe the radiation force on an elastic sphere. Limiting cases for particular types of incident beams are presented and are shown to agree with known results. Finally, the analytical expressions are used to calculate radiation forces associated with two specific focusing transducers. PMID:23363086

A numerical simulation of the water vapor bubble rising in ferrofluid by volume of fluid model in the presence of a magnetic field

NASA Astrophysics Data System (ADS)

Shafiei Dizaji, A.; Mohammadpourfard, M.; Aminfar, H.

2018-03-01

Multiphase flow is one of the most complicated problems, considering the multiplicity of the related parameters, especially the external factors influences. Thus, despite the recent developments more investigations are still required. The effect of a uniform magnetic field on the hydrodynamics behavior of a two-phase flow with different magnetic permeability is presented in this article. A single water vapor bubble which is rising inside a channel filled with ferrofluid has been simulated numerically. To capture the phases interface, the Volume of Fluid (VOF) model, and to solve the governing equations, the finite volume method has been employed. Contrary to the prior anticipations, while the consisting fluids of the flow are dielectric, uniform magnetic field causes a force acting normal to the interface toward to the inside of the bubble. With respect to the applied magnetic field direction, the bubble deformation due to the magnetic force increases the bubble rising velocity. Moreover, the higher values of applied magnetic field strength and magnetic permeability ratio resulted in the further increase of the bubble rising velocity. Also it is indicated that the flow mixing and the heat transfer rate is increased by a bubble injection and applying a magnetic field. The obtained results have been concluded that the presented phenomenon with applying a magnetic field can be used to control the related characteristics of the multiphase flows. Compared to the previous studies, implementing the applicable cases using the common and actual materials and a significant reduction of the CPU time are the most remarkable advantages of the current study.

Modelling and simulation of particle-particle interaction in a magnetophoretic bio-separation chip

NASA Astrophysics Data System (ADS)

Alam, Manjurul; Golozar, Matin; Darabi, Jeff

2018-04-01

A Lagrangian particle trajectory model is developed to predict the interaction between cell-bead particle complexes and to track their trajectories in a magnetophoretic bio-separation chip. Magnetic flux gradients are simulated in the OpenFOAM CFD software and imported into MATLAB to obtain the trapping lengths and trajectories of the particles. A connector vector is introduced to calculate the interaction force between cell-bead complexes as they flow through a microfluidic device. The interaction force calculations are performed for cases where the connector vector is parallel, perpendicular, and at an angle of 45° with the applied magnetic field. The trajectories of the particles are simulated by solving a system of eight ordinary differential equations using a fourth order Runge-Kutta method. The model is then used to study the effects of geometric positions and angles of the connector vector between the particles as well as the cell size, number of beads per cell, and flow rate on the interaction force and trajectories of the particles. The results show that the interaction forces may be attractive or repulsive, depending on the orientation of the connector vector distance between the particle complexes and the applied magnetic field. When the interaction force is attractive, the particles are observed to merge and trap sooner than a single particle, whereas a repulsive interaction force has little or no effect on the trapping length.

Force Balance and Substorm Effects in the Magnetotail

NASA Technical Reports Server (NTRS)

Kaufmann, Richard L.; Larson, Douglas J.; Kontodinas, Ioannis D.; Ball, Bryan M.

1997-01-01

A model of the quiet time middle magnetotail is developed using a consistent orbit tracing technique. The momentum equation is used to calculate geocentric solar magnetospheric components of the particle and electromagnetic forces throughout the current sheet. Ions generate the dominant x and z force components. Electron and ion forces almost cancel in the y direction because the two species drift earthward at comparable speeds. The force viewpoint is applied to a study of some substorm processes. Generation of the rapid flows seen during substorm injection and bursty bulk flow events implies substantial force imbalances. The formation of a substorm diversion loop is one cause of changes in the magnetic field and therefore in the electromagnetic force. It is found that larger forces are produced when the cross-tail current is diverted to the ionosphere than would be produced if the entire tail current system simply decreased. Plasma is accelerated while the forces are unbalanced resulting in field lines within a diversion loop becoming more dipolar. Field lines become more stretched and the plasma sheet becomes thinner outside a diversion loop. Mechanisms that require thin current sheets to produce current disruption then can create additional diversion loops in the newly thinned regions. This process may be important during multiple expansion substorms and in differentiating pseudoexpansions from full substorms. It is found that the tail field model used here can be generated by a variety of particle distribution functions. However, for a given energy distribution the mixture of particle mirror or reflection points is constrained by the consistency requirement. The study of uniqueness also leads to the development of a technique to select guiding center electrons that will produce charge neutrality all along a flux tube containing nonguiding center ions without the imposition of a parallel electric field.

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.

Magnetic bucket for rotating unmagnetized plasma.

PubMed

Katz, Noam; Collins, Cami; Wallace, John; Clark, Mike; Weisberg, David; Jara-Almonte, Jon; Reese, Ingrid; Wahl, Carl; Forest, Cary

2012-06-01

A new experiment is described which generates flow in unmagnetized plasma. Confinement is provided by a cage of permanent magnets, arranged to form an axisymmetric, high-order, multipolar magnetic field. This field configuration-sometimes called a "magnetic bucket"-has a vanishingly small field in the core of the experiment. Toroidal rotation is driven by J × B forces applied in the magnetized edge. The cross-field current that is required for this forcing flows from anodes to thermionic cathodes, which are inserted between the magnet rings. The rotation at the edge reaches 3 km/s and is viscously coupled to the unmagnetized core plasma. We describe the conditions necessary for rotation, as well as a 0-dimensional power balance used to understand plasma confinement in the experiment.

Trapping, Deformation, and Rotation of Giant Unilamellar Vesicles in Octode Dielectrophoretic Field Cages

PubMed Central

Korlach, J.; Reichle, C.; Müller, T.; Schnelle, T.; Webb, W. W.

2005-01-01

The behavior of freestanding lipid bilayer membranes under the influence of dielectric force potentials was studied by trapping, holding, and rotating individual giant unilamellar vesicles (GUVs) inside dielectrophoretic microfield cages. Using laser scanning confocal microscopy and three-dimensional image reconstructions of GUVs labeled with fluorescent membrane probes, field strength and frequency-dependent vesicle deformations were observed which are explained by calculations of the dielectric force potentials inside the cage. Dynamical membrane properties under the influence of the field cage were studied by fluorescence correlation spectroscopy, circumventing potential artifacts associated with measurements involving GUV immobilization on support surfaces. Lipid transport could be accelerated markedly by the applied fields, aided by hydrodynamic fluid streaming which was also studied by fluorescence correlation spectroscopy. PMID:15863477

Three-dimensional cellular deformation analysis with a two-photon magnetic manipulator workstation.

PubMed

Huang, Hayden; Dong, Chen Y; Kwon, Hyuk-Sang; Sutin, Jason D; Kamm, Roger D; So, Peter T C

2002-04-01

The ability to apply quantifiable mechanical stresses at the microscopic scale is critical for studying cellular responses to mechanical forces. This necessitates the use of force transducers that can apply precisely controlled forces to cells while monitoring the responses noninvasively. This paper describes the development of a micromanipulation workstation integrating two-photon, three-dimensional imaging with a high-force, uniform-gradient magnetic manipulator. The uniform-gradient magnetic field applies nearly uniform forces to a large cell population, permitting statistical quantification of select molecular responses to mechanical stresses. The magnetic transducer design is capable of exerting over 200 pN of force on 4.5-microm-diameter paramagnetic particles and over 800 pN on 5.0-microm ferromagnetic particles. These forces vary within +/-10% over an area 500 x 500 microm2. The compatibility with the use of high numerical aperture (approximately 1.0) objectives is an integral part of the workstation design allowing submicron-resolution, three-dimensional, two-photon imaging. Three-dimensional analyses of cellular deformation under localized mechanical strain are reported. These measurements indicate that the response of cells to large focal stresses may contain three-dimensional global deformations and show the suitability of this workstation to further studying cellular response to mechanical stresses.

On the Evolution of Pulsatile Flow Subject to a Transverse Impulse Body Force

NASA Astrophysics Data System (ADS)

di Labbio, Giuseppe; Keshavarz-Motamed, Zahra; Kadem, Lyes

2014-11-01

In the event of an unexpected abrupt traffic stop or car accident, automotive passengers will experience an abrupt body deceleration. This may lead to tearing or dissection of the aortic wall known as Blunt Traumatic Aortic Rupture (BTAR). BTAR is the second leading cause of death in automotive accidents and, although quite frequent, the mechanisms leading to BTAR are still not clearly identified, particularly the contribution of the flow field. As such, this work is intended to provide a fundamental framework for the investigation of the flow contribution to BTAR. In this fundamental study, pulsatile flow in a three-dimensional, straight pipe of circular cross-section is subjected to a unidirectional, transverse, impulse body force applied on a strictly bounded volume of fluid. These models were simulated using the Computational Fluid Dynamics (CFD) software FLUENT. The evolution of fluid field characteristics was investigated during and after the application of the force. The application of the force significantly modified the flow field. The force induces a transverse pressure gradient causing the development of secondary flow structures that dissipate the energy added by the acceleration. Once the force ceases to act, these structures are carried downstream and gradually dissipate their excess energy.

Transferable Coarse-Grained Models for Ionic Liquids.

PubMed

Wang, Yanting; Feng, Shulu; Voth, Gregory A

2009-04-14

The effective force coarse-graining (EF-CG) method was applied to the imidazolium-based nitrate ionic liquids with various alkyl side-chain lengths. The nonbonded EF-CG forces for the ionic liquid with a short side chain were extended to generate the nonbonded forces for the ionic liquids with longer side chains. The EF-CG force fields for the ionic liquids exhibit very good transferability between different systems at various temperatures and are suitable for investigating the mesoscopic structural properties of this class of ionic liquids. The good additivity and ease of manipulation of the EF-CG force fields can allow for an inverse design methodology of ionic liquids at the coarse-grained level. With the EF-CG force field, the molecular dynamics (MD) simulation at a very large scale has been performed to check the significance of finite size effects on the structural properties. From these MD simulation results, it can be concluded that the finite size effect on the phenomenon of ionic liquid spatial heterogeneity (Wang, Y.; Voth, G. A. J. Am. Chem. Soc. 2005, 127, 12192) is small and that this phenomenon is indeed a nanostructural behavior which leads to the experimentally observed mesoscopic heterogeneous structure of ionic liquids.

Force sensor

DOEpatents

Grahn, A.R.

1993-05-11

A force sensor and related method for determining force components is described. The force sensor includes a deformable medium having a contact surface against which a force can be applied, a signal generator for generating signals that travel through the deformable medium to the contact surface, a signal receptor for receiving the signal reflected from the contact surface, a generation controller, a reception controller, and a force determination apparatus. The signal generator has one or more signal generation regions for generating the signals. The generation controller selects and activates the signal generation regions. The signal receptor has one or more signal reception regions for receiving signals and for generating detections signals in response thereto. The reception controller selects signal reception regions and detects the detection signals. The force determination apparatus measures signal transit time by timing activation and detection and, optionally, determines force components for selected cross-field intersections. The timer which times by activation and detection can be any means for measuring signal transit time. A cross-field intersection is defined by the overlap of a signal generation region and a signal reception region.

Force sensor

DOEpatents

Grahn, Allen R.

1993-01-01

A force sensor and related method for determining force components. The force sensor includes a deformable medium having a contact surface against which a force can be applied, a signal generator for generating signals that travel through the deformable medium to the contact surface, a signal receptor for receiving the signal reflected from the contact surface, a generation controller, a reception controller, and a force determination apparatus. The signal generator has one or more signal generation regions for generating the signals. The generation controller selects and activates the signal generation regions. The signal receptor has one or more signal reception regions for receiving signals and for generating detections signals in response thereto. The reception controller selects signal reception regions and detects the detection signals. The force determination apparatus measures signal transit time by timing activation and detection and, optionally, determines force components for selected cross-field intersections. The timer which times by activation and detection can be any means for measuring signal transit time. A cross-field intersection is defined by the overlap of a signal generation region and a signal reception region.

Nonlinear Bubble Interactions in Acoustic Pressure Fields

NASA Technical Reports Server (NTRS)

Barbat, Tiberiu; Ashgriz, Nasser; Liu, Ching-Shi

1996-01-01

The systems consisting of a two-phase mixture, as clouds of bubbles or drops, have shown many common features in their responses to different external force fields. One of particular interest is the effect of an unsteady pressure field applied to these systems, case in which the coupling of the vibrations induced in two neighboring components (two drops or two bubbles) may result in an interaction force between them. This behavior was explained by Bjerknes by postulating that every body that is moving in an accelerating fluid is subjected to a 'kinetic buoyancy' equal with the product of the acceleration of the fluid multiplied by the mass of the fluid displaced by the body. The external sound wave applied to a system of drops/bubbles triggers secondary sound waves from each component of the system. These secondary pressure fields integrated over the surface of the neighboring drop/bubble may result in a force additional to the effect of the primary sound wave on each component of the system. In certain conditions, the magnitude of these secondary forces may result in significant changes in the dynamics of each component, thus in the behavior of the entire system. In a system containing bubbles, the sound wave radiated by one bubble at the location of a neighboring one is dominated by the volume oscillation mode and its effects can be important for a large range of frequencies. The interaction forces in a system consisting of drops are much smaller than those consisting of bubbles. Therefore, as a first step towards the understanding of the drop-drop interaction subject to external pressure fluctuations, it is more convenient to study the bubble interactions. This paper presents experimental results and theoretical predictions concerning the interaction and the motion of two levitated air bubbles in water in the presence of an acoustic field at high frequencies (22-23 KHz).

Adaptation of multijoint coordination during standing balance in healthy young and healthy old individuals

PubMed Central

Pasma, J. H.; Schouten, A. C.; Aarts, R. G. K. M.; Meskers, C. G. M.; Maier, A. B.; van der Kooij, H.

2015-01-01

Standing balance requires multijoint coordination between the ankles and hips. We investigated how humans adapt their multijoint coordination to adjust to various conditions and whether the adaptation differed between healthy young participants and healthy elderly. Balance was disturbed by push/pull rods, applying two continuous and independent force disturbances at the level of the hip and between the shoulder blades. In addition, external force fields were applied, represented by an external stiffness at the hip, either stabilizing or destabilizing the participants' balance. Multivariate closed-loop system-identification techniques were used to describe the neuromuscular control mechanisms by quantifying the corrective joint torques as a response to body sway, represented by frequency response functions (FRFs). Model fits on the FRFs resulted in an estimation of time delays, intrinsic stiffness, reflexive stiffness, and reflexive damping of both the ankle and hip joint. The elderly generated similar corrective joint torques but had reduced body sway compared with the young participants, corresponding to the increased FRF magnitude with age. When a stabilizing or destabilizing external force field was applied at the hip, both young and elderly participants adapted their multijoint coordination by lowering or respectively increasing their neuromuscular control actions around the ankles, expressed in a change of FRF magnitude. However, the elderly adapted less compared with the young participants. Model fits on the FRFs showed that elderly had higher intrinsic and reflexive stiffness of the ankle, together with higher time delays of the hip. Furthermore, the elderly adapted their reflexive stiffness around the ankle joint less compared with young participants. These results imply that elderly were stiffer and were less able to adapt to external force fields. PMID:26719084

Formation of Relativistic Jets : Magnetohydrodynamics and Synchrotron Radiation

NASA Astrophysics Data System (ADS)

Porth, Oliver J. G.

2011-11-01

In this thesis, the formation of relativistic jets is investigated by means of special relativistic magnetohydrodynamic simulations and synchrotron radiative transfer. Our results show that the magnetohydrodynamic jet self-collimation paradigm can also be applied to the relativistic case. In the first part, jets launched from rotating hot accretion disk coronae are explored, leading to well collimated, but only mildly relativistic flows. Beyond the light-cylinder, the electric charge separation force balances the classical trans-field Lorentz force almost entirely, resulting in a decreased efficiency of acceleration and collimation in comparison to non-relativistic disk winds. In the second part, we examine Poynting dominated flows of various electric current distributions. By following the outflow for over 3000 Schwarzschild radii, highly relativistic jets of Lorentz factor 8 and half-opening angles below 1 degree are obtained, providing dynamical models for the parsec scale jets of active galactic nuclei. Applying the magnetohydrodynamic structure of the quasi-stationary simulation models, we solve the relativistically beamed synchrotron radiation transport. This yields synthetic radiation maps and polarization patterns that can be used to confront high resolution radio and (sub-) mm observations of nearby active galactic nuclei. Relativistic motion together with the helical magnetic fields of the jet formation site imprint a clear signature on the observed polarization and Faraday rotation. In particular, asymmetries in the polarization direction across the jet can disclose the handedness of the magnetic helix and thus the spin direction of the central engine. Finally, we show first results from fully three-dimensional, high resolution adaptive mesh refinement simulations of jet formation from a rotating magnetosphere and examine the jet stability. Relativistic field-line rotation leads to an electric charge separation force that opposes the magnetic Lorentz force, such that we obtain an increased stability of relativistic flows. Accordingly, the non-axisymmetric modes applied to the field-line foot-points saturate quickly, with no signs of enhanced dissipation or disruption near the jet launching site.

The design and development of a high-throughput magneto-mechanostimulation device for cartilage tissue engineering.

PubMed

Brady, Mariea A; Vaze, Reva; Amin, Harsh D; Overby, Darryl R; Ethier, C Ross

2014-02-01

To recapitulate the in vivo environment and create neo-organoids that replace lost or damaged tissue requires the engineering of devices, which provide appropriate biophysical cues. To date, bioreactors for cartilage tissue engineering have focused primarily on biomechanical stimulation. There is a significant need for improved devices for articular cartilage tissue engineering capable of simultaneously applying multiple biophysical (electrokinetic and mechanical) stimuli. We have developed a novel high-throughput magneto-mechanostimulation bioreactor, capable of applying static and time-varying magnetic fields, as well as multiple and independently adjustable mechanical loading regimens. The device consists of an array of 18 individual stations, each of which uses contactless magnetic actuation and has an integrated Hall Effect sensing system, enabling the real-time measurements of applied field, force, and construct thickness, and hence, the indirect measurement of construct mechanical properties. Validation tests showed precise measurements of thickness, within 14 μm of gold standard calliper measurements; further, applied force was measured to be within 0.04 N of desired force over a half hour dynamic loading, which was repeatable over a 3-week test period. Finally, construct material properties measured using the bioreactor were not significantly different (p=0.97) from those measured using a standard materials testing machine. We present a new method for articular cartilage-specific bioreactor design, integrating combinatorial magneto-mechanostimulation, which is very attractive from functional and cost viewpoints.

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

NASA Technical Reports Server (NTRS)

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

2011-01-01

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

Recent Advances in Our Understanding of Nuclear Forces

NASA Astrophysics Data System (ADS)

Machleidt, Ruprecht

2007-05-01

The attempts to find the right (underlying) theory for the nuclear force have a long and stimulating history. Already in 1953, Hans Bethe stated that ``more man-hours have been given to this problem than to any other scientific question in the history of mankind.'' In search for the nature of the nuclear force, the idea of sub-nuclear particles was created which, eventually, generated the field of particle physics. I will review this productive history of hope, error, and desperation. Finally, I will discuss recent ideas which apply the concept of an effective field theory to low-energy QCD. There are indications that this concept may provide the right framework to properly understand the nuclear force. To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2007.NWS07.B2.1

Vortex dynamics in a thin superconducting film with a non-uniform magnetic field applied at its center with a small coil

DOE PAGES

Lemberger, Thomas R.; Loh, Yen Lee

2016-10-27

This article models the dynamics of vortices that are generated in the middle of a thin, large-area, superconducting film by a low-frequency magnetic field from a small coil, motivated by a desire to better understand measurements of the superconducting coherence length made with a two-coil apparatus. When the applied field exceeds a critical value, vortices and antivortices originate near the middle of the film at the radius where the Lorentz force of the screening supercurrent is largest. The Lorentz force from the screening supercurrent pushes vortices toward the center of the film and antivortices outward. In an experiment, vortices aremore » detected as an increase in mutual inductance between drive coil and a coaxial “pickup” coil on the opposite side of the film. Lastly, the model shows that the essential features of measurements are well described when vortex pinning and the attendant hysteresis are included.« less

Self-force via m-mode regularization and 2+1D evolution. II. Scalar-field implementation on Kerr spacetime

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

Dolan, Sam R.; Barack, Leor; Wardell, Barry

2011-10-15

This is the second in a series of papers aimed at developing a practical time-domain method for self-force calculations in Kerr spacetime. The key elements of the method are (i) removal of a singular part of the perturbation field with a suitable analytic 'puncture' based on the Detweiler-Whiting decomposition, (ii) decomposition of the perturbation equations in azimuthal (m-)modes, taking advantage of the axial symmetry of the Kerr background, (iii) numerical evolution of the individual m-modes in 2+1 dimensions with a finite-difference scheme, and (iv) reconstruction of the physical self-force from the mode sum. Here we report an implementation of themore » method to compute the scalar-field self-force along circular equatorial geodesic orbits around a Kerr black hole. This constitutes a first time-domain computation of the self-force in Kerr geometry. Our time-domain code reproduces the results of a recent frequency-domain calculation by Warburton and Barack, but has the added advantage of being readily adaptable to include the backreaction from the self-force in a self-consistent manner. In a forthcoming paper--the third in the series--we apply our method to the gravitational self-force (in the Lorenz gauge).« less

Cell partition in two phase polymer systems

NASA Technical Reports Server (NTRS)

Brooks, D. E.

1979-01-01

Aqueous phase-separated polymer solutions can be used as support media for the partition of biological macromolecules, organelles and cells. Cell separations using the technique have proven to be extremely sensitive to cell surface properties but application of the systems are limited to cells or aggregates which do not significantly while the phases are settling. Partition in zero g in principle removes this limitation but an external driving force must be applied to induce the phases to separate since their density difference disappears. We have recently shown that an applied electric field can supply the necessary driving force. We are proposing to utilize the NASA FES to study field-driven phase separation and cell partition on the ground and in zero g to help define the separation/partition process, with the ultimate goal being to develop partition as a zero g cell separation technique.

Vibration control of a ship engine system using high-load magnetorheological mounts associated with a new indirect fuzzy sliding mode controller

NASA Astrophysics Data System (ADS)

Phu, Do Xuan; Choi, Seung-Bok

2015-02-01

In this work, a new high-load magnetorheological (MR) fluid mount system is devised and applied to control vibration in a ship engine. In the investigation of vibration-control performance, a new modified indirect fuzzy sliding mode controller is formulated and realized. The design of the proposed MR mount is based on the flow mode of MR fluid, and it includes two separated coils for generating a magnetic field. An optimization process is carried out to achieve maximal damping force under certain design constraints, such as the allowable height of the mount. As an actuating smart fluid, a new plate-like iron-particle-based MR fluid is used, instead of the conventional spherical iron-particle-based MR fluid. After evaluating the field-dependent yield stress of the MR fluid, the field-dependent damping force required to control unwanted vibration in the ship engine is determined. Subsequently, an appropriate-sized MR mount is manufactured and its damping characteristics are evaluated. After confirming the sufficient damping force level of the manufactured MR mount, a medium-sized ship engine mount system consisting of eight MR mounts is established, and its dynamic governing equations are derived. A new modified indirect fuzzy sliding mode controller is then formulated and applied to the engine mount system. The displacement and velocity responses show that the unwanted vibrations of the ship engine system can be effectively controlled in both the axial and radial directions by applying the proposed control methodology.

One-dimensional pinning behavior in Co-doped BaFe2As2 thin films

NASA Astrophysics Data System (ADS)

Mishev, V.; Seeböck, W.; Eisterer, M.; Iida, K.; Kurth, F.; Hänisch, J.; Reich, E.; Holzapfel, B.

2013-12-01

Angle-resolved transport measurements revealed that planar defects dominate flux pinning in the investigated Co-doped BaFe2As2 thin film. For any given field and temperature, the critical current depends only on the angle between the crystallographic c-axis and the applied magnetic field but not on the angle between the current and the field. The critical current is therefore limited only by the in-plane component of the Lorentz force but independent of the out-of-plane component, which is entirely balanced by the pinning force exerted by the planar defects. This one-dimensional pinning behavior shows similarities and differences to intrinsic pinning in layered superconductors.

Growth of II-VI Solid Solutions in the Presence of a Rotating Magnetic Field

NASA Technical Reports Server (NTRS)

Gillies, D. C; Motakef, S.; Dudley, M.; Matyi, R.; Volz, H.

1999-01-01

The application of a rotating magnetic field (RMF)in the frequency range 60-400 Hz and field strength of the order of 2-8 mT to crystal growth has received increasing attention in recent years. To take full advantage of the control of fluid flow by the forces applied by the field, the liquid column must be electrically conducting. Also, the application of RMF to the directional solidification of a column of liquid can result in complete mixing in the resultant solid. Thus, the technique of RMF is suited to solvent zones and float zones where the composition of the liquid is more readily controlled. In the work we report on, numerical modeling has been applied to II-VI systems, particularly tellurium based traveling heater techniques (THM). Results for a spectrum of field strengths and acceleration levels will be presented. These show clearly the effects of competing buoyancy forces and electromagnetic stirring. Crystals of cadmium zinc telluride and mercury cadmium telluride have been grown terrestrially from a tellurium solvent zone. The effects of the RMF during these experiments will be demonstrated with micrographs showing etch pits, white beam x-ray synchrotron topographs and triple axis x-ray diffraction.

Controllability analysis and testing of a novel magnetorheological absorber for field gun recoil mitigation

NASA Astrophysics Data System (ADS)

Ouyang, Qing; Zheng, Jiajia; Li, Zhaochun; Hu, Ming; Wang, Jiong

2016-11-01

This paper aims to analyze the effects of combined working coils of magnetorheological (MR) absorber on the shock mitigation performance and verify the controllability of MR absorber as applied in the recoil system of a field gun. A physical scale model of the field gun is established and a long-stroke MR recoil absorber with four-stage parallel electromagnetic coils is designed to apply separate current to each stage and generate variable magnetic field distribution in the annular flow channel. Based on dynamic analysis and firing stability conditions of the field gun, ideal recoil force-stroke profiles of MR absorber at different limiting firing angles are obtained. The experimental studies are carried out on an impact test rig under different combinations of current loading: conventional unified control mode, separate control mode and timing control mode. The fullness degree index (FDI) is defined as the quantitative evaluation criterion of the controllability of MR absorber during the whole recoil motion. The results show that the force-stroke profile of the novel MR absorber can approach the ideal curve within 25 degrees of the limiting firing angle through judicious exploitation of the adjustable rheological properties of MR fluid.

First-principles investigation of graphitic carbon nitride monolayer with embedded Fe atom

NASA Astrophysics Data System (ADS)

Abdullahi, Yusuf Zuntu; Yoon, Tiem Leong; Halim, Mohd Mahadi; Hashim, Md. Roslan; Lim, Thong Leng

2018-01-01

Density-functional theory (DFT) calculations with spin-polarized generalized gradient approximation and Hubbard U correction are carried out to investigate the mechanical, structural, electronic and magnetic properties of graphitic heptazine with embedded Fe atom under bi-axial tensile strain and applied perpendicular electric field. It was found that the binding energy of heptazine with embedded Fe atom system decreases as larger tensile strain is applied, while it increases as larger electric field strength is applied. Our calculations also predict a band gap at a peak value of 5% tensile strain but at expense of the structural stability of the system. The band gap open up at 5% tensile strain is due to distortion in the structure caused by the repulsive effect in the cavity between the lone pairs of the edge nitrogen atoms and dxy /dx2 -y2 orbital of Fe atom, forcing the unoccupied pz- orbital is forced to shift toward higher energy. The electronic and magnetic properties of the heptazine with embedded Fe system under perpendicular electric field up to a peak value of 8 V/nm is also well preserved despite an obvious buckled structure. Such properties are desirable for diluted magnetic semiconductors, spintronics, and sensing devices.

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

PubMed Central

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

2017-01-01

There is a small, but growing, body of literature describing the use of osmotic coefficient measurements to validate and reparameterize 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 parameterization 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 provides a simple route to optimizing agreement with experiment. PMID:28296391

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.

Use of force feedback to enhance graphical user interfaces

NASA Astrophysics Data System (ADS)

Rosenberg, Louis B.; Brave, Scott

1996-04-01

This project focuses on the use of force feedback sensations to enhance user interaction with standard graphical user interface paradigms. While typical joystick and mouse devices are input-only, force feedback controllers allow physical sensations to be reflected to a user. Tasks that require users to position a cursor on a given target can be enhanced by applying physical forces to the user that aid in targeting. For example, an attractive force field implemented at the location of a graphical icon can greatly facilitate target acquisition and selection of the icon. It has been shown that force feedback can enhance a users ability to perform basic functions within graphical user interfaces.

Permanent Magnet Spiral Motor for Magnetic Gradient Energy Utilization: Axial Magnetic Field

NASA Astrophysics Data System (ADS)

Valone, Thomas F.

2010-01-01

The Spiral Magnetic Motor, which can accelerate a magnetized rotor through 90% of its cycle with only permanent magnets, was an energy milestone for the 20th century patents by Kure Tekkosho in the 1970's. However, the Japanese company used old ferrite magnets which are relatively weak and an electrically-powered coil to jump start every cycle, which defeated the primary benefit of the permanent magnet motor design. The principle of applying an inhomogeneous, anisotropic magnetic field gradient force Fz = μ cos φ dB/dz, with permanent magnets is well-known in physics, e.g., Stern-Gerlach experiment, which exploits the interaction of a magnetic moment with the aligned electron spins of magnetic domains. In this case, it is applied to dB/dθ in polar coordinates, where the force Fθ depends equally on the magnetic moment, the cosine of the angle between the magnetic moment and the field gradient. The radial magnetic field increases in strength (in the attractive mode) or decreases in strength (in the repulsive mode) as the rotor turns through one complete cycle. An electromagnetic pulsed switching has been historically used to help the rotor traverse the gap (detent) between the end of the magnetic stator arc and the beginning (Kure Tekko, 1980). However, alternative magnetic pulse and switching designs have been developed, as well as strategic eddy current creation. This work focuses on the switching mechanism, novel magnetic pulse methods and advantageous angular momentum improvements. For example, a collaborative effort has begun with Toshiyuki Ueno (University of Tokyo) who has invented an extremely low power, combination magnetostrictive-piezoelectric (MS-PZT) device for generating low frequency magnetic fields and consumes "zero power" for static magnetic field production (Ueno, 2004 and 2007a). Utilizing a pickup coil such as an ultra-miniature millihenry inductor with a piezoelectric actuator or simply Wiegand wire geometry, it is shown that the necessary power for magnetic field switching device can be achieved in order to deflect the rotor magnet in transit. The Wiegand effect itself (bistable FeCoV wire called "Vicalloy") invented by John Wiegand (Switchable Magnetic Device, US Patent ♯4,247,601), utilizing Barkhausen jumps of magnetic domains, is also applied for a similar achievement (Dilatush, 1977). Conventional approaches for spiral magnetic gradient force production have not been adequate for magnetostatic motors to perform useful work. It is proposed that integrating a magnetic force control device with a spiral stator inhomogeneous axial magnetic field motor is a viable approach to add a sufficient nonlinear boundary shift to apply the angular momentum and potential energy gained in 315 degrees of the motor cycle.

Charge dependence of the plasma travel length in atmospheric-pressure plasma

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

Yambe, Kiyoyuki; Konda, Kohmei; Masuda, Seiya

Plasma plume is generated using a quartz tube, helium gas, and foil electrode by applying AC high voltage under the atmosphere. The plasma plume is released into the atmosphere from inside of the quartz tube and is seen as the continuous movement of the plasma bullet. The travel length of plasma bullet is defined from plasma energy and force due to electric field. The drift velocity of plasma bullet has the upper limit under atmospheric-pressure because the drift velocity is determined from the balance between electric field and resistive force due to collisions between plasma and air. The plasma plumemore » charge depends on the drift velocity. Consequently, in the laminar flow of helium gas flow state, the travel length of the plasma plume logarithmically depends on the plasma plume charge which changes with both the electric field and the resistive force.« less

Traction patterns of tumor cells.

PubMed

Ambrosi, D; Duperray, A; Peschetola, V; Verdier, C

2009-01-01

The traction exerted by a cell on a planar deformable substrate can be indirectly obtained on the basis of the displacement field of the underlying layer. The usual methodology used to address this inverse problem is based on the exploitation of the Green tensor of the linear elasticity problem in a half space (Boussinesq problem), coupled with a minimization algorithm under force penalization. A possible alternative strategy is to exploit an adjoint equation, obtained on the basis of a suitable minimization requirement. The resulting system of coupled elliptic partial differential equations is applied here to determine the force field per unit surface generated by T24 tumor cells on a polyacrylamide substrate. The shear stress obtained by numerical integration provides quantitative insight of the traction field and is a promising tool to investigate the spatial pattern of force per unit surface generated in cell motion, particularly in the case of such cancer cells.

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

The harmonic force field of benzene. A local density functional study

NASA Astrophysics Data System (ADS)

Bérces, Attila; Ziegler, Tom

1993-03-01

The harmonic force field of benzene has been calculated by a method based on local density functional theory (LDF). The calculations were carried out employing a triple zeta basis set with triple polarization on hydrogen and double polarization on carbon. The LDF force field was compared to the empirical field due to Ozkabak, Goodman, and Thakur [A. G. Ozkabak, L. Goodman, and S. N. Thakur, J. Phys. Chem. 95, 9044 (1991)], which has served as a benchmark for theoretical calculations as well as the theoretical field based on scaled Hartree-Fock ab initio calculation due to Pulay, Fogarasi, and Boggs [P. Pulay, G. Fogarasi, and J. E. Boggs, J. Chem. Phys. 74, 3999 (1981)]. The calculated LDF force field is in excellent qualitative and very good quantitative agreement with the theoretical field proposed by Pulay, Fogarasi, and Boggs as well as the empirical field due to Ozkabak, Goodman, and Thakur. The LDF field is closest to the values of Pulay and co-workers in those cases where the force constants due to Pulay, Fogarasi, and Boggs and to Ozkabak, Goodman, and Thakur differ in sign or magnitude. The accuracy of the LDF force field was investigated by evaluating a number of eigenvalue and eigenfunction dependent quantities from the the LDF force constants. The quantities under investigation include vibrational frequencies of seven isotopomers, isotopic shifts, as well as absorption intensities. The calculations were performed at both theoretical optimized and approximate equilibrium reference geometries. The predicted frequencies are usually within 1%-2% compared to the empirical harmonic frequencies. The least accurate frequency deviates by 5% from the experimental value. The average deviations from the empirical harmonic frequencies of C6H6 and C6D6 are 16.7 cm-1 (1.5%) and 15.2 cm-1 (1.7%), respectively, not including CH stretching frequencies, in the case where a theoretical reference geometry was used. The accuracy of the out-of-plane force field is especially remarkable; the average deviations for the C6H6 and C6D6 frequencies, based on the LDF force field, are 9.4 cm-1 (1.2%) and 7.3 cm-1 (1.2%), respectively. The absorption intensities were not predicted as accurately as it was expected based on the size of the basis set applied. An analysis is provided to ensure that the force constants are not significantly affected by numerical errors due to the numerical integration scheme employed.

Electric force on plasma ions and the momentum of the ion-neutrals flow

NASA Astrophysics Data System (ADS)

Makrinich, G.; Fruchtman, A.; Zoler, D.; Boxman, R. L.

2018-05-01

The electric force on ions in plasma and the momentum flux carried by the mixed ion-neutral flow were measured and found to be equal. The experiment was performed in a direct-current gas discharge of cylindrical geometry with applied radial electric field and axial magnetic field. The unmagnetized plasma ions, neutralized by magnetized electrons, were accelerated radially outward transferring part of the gained momentum to neutrals. Measurements were taken for various argon gas flow rates between 13 and 100 Standard Cubic Centimeter per Minute, for a discharge current of 1.9 A and a magnetic field intensity of 136 G. The plasma density, electron temperature, and plasma potential were measured at various locations along the flow. These measurements were used to determine the local electric force on the ions. The total electric force on the plasma ions was then determined by integrating radially the local electric force. In parallel, the momentum flux of the mixed ion-neutral flow was determined by measuring the force exerted by the flow on a balance force meter (BFM). The maximal plasma density was between 6 × 1010 cm-3 and 5 × 1011 cm-3, the maximal electron temperature was between 8 eV and 25 eV, and the deduced maximal electric field was between 2200 V/m and 5800 V/m. The force exerted by the mixed ion-neutral flow on the BFM agreed with the total electric force on the plasma ions. This agreement showed that it is the electric force on the plasma ions that is the source of the momentum acquired by the mixed ion-neutral flow.

On the extraction of pressure fields from PIV velocity measurements in turbines

NASA Astrophysics Data System (ADS)

Villegas, Arturo; Diez, Fancisco J.

2012-11-01

In this study, the pressure field for a water turbine is derived from particle image velocimetry (PIV) measurements. Measurements are performed in a recirculating water channel facility. The PIV measurements include calculating the tangential and axial forces applied to the turbine by solving the integral momentum equation around the airfoil. The results are compared with the forces obtained from the Blade Element Momentum theory (BEMT). Forces are calculated by using three different methods. In the first method, the pressure fields are obtained from PIV velocity fields by solving the Poisson equation. The boundary conditions are obtained from the Navier-Stokes momentum equations. In the second method, the pressure at the boundaries is determined by spatial integration of the pressure gradients along the boundaries. In the third method, applicable only to incompressible, inviscid, irrotational, and steady flow, the pressure is calculated using the Bernoulli equation. This approximated pressure is known to be accurate far from the airfoil and outside of the wake for steady flows. Additionally, the pressure is used to solve for the force from the integral momentum equation on the blade. From the three methods proposed to solve for pressure and forces from PIV measurements, the first one, which is solved by using the Poisson equation, provides the best match to the BEM theory calculations.

Tests and applications of nonlinear force-free field extrapolations in spherical geometry

NASA Astrophysics Data System (ADS)

Guo, Y.; Ding, M. D.

2013-07-01

We test a nonlinear force-free field (NLFFF) optimization code in spherical geometry with an analytical solution from Low and Lou. The potential field source surface (PFSS) model is served as the initial and boundary conditions where observed data are not available. The analytical solution can be well recovered if the boundary and initial conditions are properly handled. Next, we discuss the preprocessing procedure for the noisy bottom boundary data, and find that preprocessing is necessary for NLFFF extrapolations when we use the observed photospheric magnetic field as bottom boundaries. Finally, we apply the NLFFF model to a solar area where four active regions interacting with each other. An M8.7 flare occurred in one active region. NLFFF modeling in spherical geometry simultaneously constructs the small and large scale magnetic field configurations better than the PFSS model does.

Quantification of in-contact probe-sample electrostatic forces with dynamic atomic force microscopy

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

Balke, Nina Wisinger; Jesse, Stephen; Carmichael, Ben D.

Here, atomic force microscopy (AFM) methods utilizing resonant mechanical vibrations of cantilevers in contact with a sample surface have shown sensitivities as high as few picometers for detecting surface displacements. Such a high sensitivity is harnessed in several AFM imaging modes. Here, we demonstrate a cantilever-resonance-based method to quantify electrostatic forces on a probe in the probe-sample junction in the presence of a surface potential or when a bias voltage is applied to the AFM probe. We find that the electrostatic forces acting on the probe tip apex can produce signals equivalent to a few pm of surface displacement. Inmore » combination with modeling, the measurements of the force were used to access the strength of the electrical field at the probe tip apex in contact with a sample. We find an evidence that the electric field strength in the junction can reach ca. 1 V nm –1 at a bias voltage of a few volts and is limited by non-ideality of the tip-sample contact. This field is sufficiently strong to significantly influence material states and kinetic processes through charge injection, Maxwell stress, shifts of phase equilibria, and reduction of energy barriers for activated processes. Besides, the results provide a baseline for accounting for the effects of local electrostatic forces in electromechanical AFM measurements as well as offer additional means to probe ionic mobility and field-induced phenomena in solids.« less

Quantification of In-Contact Probe-Sample Electrostatic Forces with Dynamic Atomic Force Microscopy.

PubMed

Balke, Nina; Jesse, Stephen; Carmichael, Ben; Okatan, M; Kravchenko, Ivan; Kalinin, Sergei; Tselev, Alexander

2016-12-13

Atomic Force Microscopy (AFM) methods utilizing resonant mechanical vibrations of cantilevers in contact with a sample surface have shown sensitivities as high as few picometers for detecting surface displacements. Such a high sensitivity is harnessed in several AFM imaging modes. Here, we demonstrate a cantilever-resonance-based method to quantify electrostatic forces on a probe in the probe-sample junction in the presence of a surface potential or when a bias voltage is applied to the AFM probe. We find that the electrostatic forces acting on the probe tip apex can produce signals equivalent to a few pm of surface displacement. In combination with modeling, the measurements of the force were used to access the strength of the electrical field at the probe tip apex in contact with a sample. We find an evidence that the electric field strength in the junction can reach ca. 1 V/nm at a bias voltage of a few volts and is limited by non-ideality of the tip-sample contact. This field is sufficiently strong to significantly influence material states and kinetic processes through charge injection, Maxwell stress, shifts of phase equilibria, and reduction of energy barriers for activated processes. Besides, the results provide a baseline for accounting for the effects of local electrostatic forces in electromechanical AFM measurements as well as offer additional means to probe ionic mobility and field-induced phenomena in solids. Copyright 2016 IOP Publishing Ltd.

Quantification of in-contact probe-sample electrostatic forces with dynamic atomic force microscopy

DOE PAGES

Balke, Nina Wisinger; Jesse, Stephen; Carmichael, Ben D.; ...

2017-01-04

Here, atomic force microscopy (AFM) methods utilizing resonant mechanical vibrations of cantilevers in contact with a sample surface have shown sensitivities as high as few picometers for detecting surface displacements. Such a high sensitivity is harnessed in several AFM imaging modes. Here, we demonstrate a cantilever-resonance-based method to quantify electrostatic forces on a probe in the probe-sample junction in the presence of a surface potential or when a bias voltage is applied to the AFM probe. We find that the electrostatic forces acting on the probe tip apex can produce signals equivalent to a few pm of surface displacement. Inmore » combination with modeling, the measurements of the force were used to access the strength of the electrical field at the probe tip apex in contact with a sample. We find an evidence that the electric field strength in the junction can reach ca. 1 V nm –1 at a bias voltage of a few volts and is limited by non-ideality of the tip-sample contact. This field is sufficiently strong to significantly influence material states and kinetic processes through charge injection, Maxwell stress, shifts of phase equilibria, and reduction of energy barriers for activated processes. Besides, the results provide a baseline for accounting for the effects of local electrostatic forces in electromechanical AFM measurements as well as offer additional means to probe ionic mobility and field-induced phenomena in solids.« less

Isogeometric Analysis for Topology Optimization with a Phase Field Model

DTIC Science & Technology

2011-09-01

surface force h and body force f . 2 Topology Optimization in the Minimum Compli- ance Case In this section we introduce the topology optimization...for a given material density function ρ, such that: −∇ · σ̃(ρ,u) = f in Ω, u = 0 on ΓD, σ̃(ρ,u)n̂ = h on ΓN , ρ given, (3) where ΓD ⊂ ∂Ω is the...force h is applied (traction or pressure); for the sake of simplicity we assume a null displacement on ΓD. Also, f is the body force acting in the

A Deformable Smart Skin for Continuous Sensing Based on Electrical Impedance Tomography.

PubMed

Visentin, Francesco; Fiorini, Paolo; Suzuki, Kenji

2016-11-16

In this paper, we present a low-cost, adaptable, and flexible pressure sensor that can be applied as a smart skin over both stiff and deformable media. The sensor can be easily adapted for use in applications related to the fields of robotics, rehabilitation, or costumer electronic devices. In order to remove most of the stiff components that block the flexibility of the sensor, we based the sensing capability on the use of a tomographic technique known as Electrical Impedance Tomography. The technique allows the internal structure of the domain under study to be inferred by reconstructing its conductivity map. By applying the technique to a material that changes its resistivity according to applied forces, it is possible to identify these changes and then localise the area where the force was applied. We tested the system when applied to flat and curved surfaces. For all configurations, we evaluate the artificial skin capabilities to detect forces applied over a single point, over multiple points, and changes in the underlying geometry. The results are all promising, and open the way for the application of such sensors in different robotic contexts where deformability is the key point.

A Deformable Smart Skin for Continuous Sensing Based on Electrical Impedance Tomography

PubMed Central

Visentin, Francesco; Fiorini, Paolo; Suzuki, Kenji

2016-01-01

In this paper, we present a low-cost, adaptable, and flexible pressure sensor that can be applied as a smart skin over both stiff and deformable media. The sensor can be easily adapted for use in applications related to the fields of robotics, rehabilitation, or costumer electronic devices. In order to remove most of the stiff components that block the flexibility of the sensor, we based the sensing capability on the use of a tomographic technique known as Electrical Impedance Tomography. The technique allows the internal structure of the domain under study to be inferred by reconstructing its conductivity map. By applying the technique to a material that changes its resistivity according to applied forces, it is possible to identify these changes and then localise the area where the force was applied. We tested the system when applied to flat and curved surfaces. For all configurations, we evaluate the artificial skin capabilities to detect forces applied over a single point, over multiple points, and changes in the underlying geometry. The results are all promising, and open the way for the application of such sensors in different robotic contexts where deformability is the key point. PMID:27854325

Dehydration process in NaCl solutions under various external electric fields

NASA Astrophysics Data System (ADS)

Kadota, Kazunori; Shimosaka, Atsuko; Shirakawa, Yoshiyuki; Hidaka, Jusuke

2007-06-01

Ionic motions at solid-liquid interface in supersaturated NaCl solutions have been investigated by molecular dynamics (MD) simulation for understanding crystal growth processes. The density profile in the vicinity of the interfaces between NaCl(100) and the supersaturated NaCl solution was calculated. Diffusion coefficients of water molecules in the solution were estimated as a function of distance from the crystal interface. It turned out that the structure and dynamics of the solution in the interfaces was different from those of bulk solution owing to electric fields depending on the surface charge. Therefore, the electric field was applied to the supersaturated solutions and dehydration phenomenon occurring in the process of the crystal growth was discussed. As the electric field increased, it was observed that the Na+ keeping strongly hydration structure broke out by the electric force. In supersaturated concentration, the solution structure is significantly different from that of dilution and has a complicated structure with hydration ions and clusters of NaCl. If the electric fields were applied to the solutions, the breakout of hydration structure was not affected with increasing the supersaturated ratio. This reason is that the cluster structures are destroyed by the electric force. The situation depends on the electric field or crystal surface structure.

Correcting Biases in a lower resolution global circulation model with data assimilation

NASA Astrophysics Data System (ADS)

Canter, Martin; Barth, Alexander

2016-04-01

With this work, we aim at developping a new method of bias correction using data assimilation. This method is based on the stochastic forcing of a model to correct bias. First, through a preliminary run, we estimate the bias of the model and its possible sources. Then, we establish a forcing term which is directly added inside the model's equations. We create an ensemble of runs and consider the forcing term as a control variable during the assimilation of observations. We then use this analysed forcing term to correct the bias of the model. Since the forcing is added inside the model, it acts as a source term, unlike external forcings such as wind. This procedure has been developed and successfully tested with a twin experiment on a Lorenz 95 model. It is currently being applied and tested on the sea ice ocean NEMO LIM model, which is used in the PredAntar project. NEMO LIM is a global and low resolution (2 degrees) coupled model (hydrodynamic model and sea ice model) with long time steps allowing simulations over several decades. Due to its low resolution, the model is subject to bias in area where strong currents are present. We aim at correcting this bias by using perturbed current fields from higher resolution models and randomly generated perturbations. The random perturbations need to be constrained in order to respect the physical properties of the ocean, and not create unwanted phenomena. To construct those random perturbations, we first create a random field with the Diva tool (Data-Interpolating Variational Analysis). Using a cost function, this tool penalizes abrupt variations in the field, while using a custom correlation length. It also decouples disconnected areas based on topography. Then, we filter the field to smoothen it and remove small scale variations. We use this field as a random stream function, and take its derivatives to get zonal and meridional velocity fields. We also constrain the stream function along the coasts in order not to have currents perpendicular to the coast. The randomly generated stochastic forcing are then directly injected into the NEMO LIM model's equations in order to force the model at each timestep, and not only during the assimilation step. Results from a twin experiment will be presented. This method is being applied to a real case, with observations on the sea surface height available from the mean dynamic topography of CNES (Centre national d'études spatiales). The model, the bias correction, and more extensive forcings, in particular with a three dimensional structure and a time-varying component, will also be presented.

Influence of Applying Additional Forcing Fans for the Air Distribution in Ventilation Network

NASA Astrophysics Data System (ADS)

Szlązak, Nikodem; Obracaj, Dariusz; Korzec, Marek

2016-09-01

Mining progress in underground mines cause the ongoing movement of working areas. Consequently, it becomes necessary to adapt the ventilation network of a mine to direct airflow into newly-opened districts. For economic reasons, opening new fields is often achieved via underground workings. Length of primary intake and return routes increases and also increases the total resistance of a complex ventilation network. The development of a subsurface structure can make it necessary to change the air distribution in a ventilation network. Increasing airflow into newly-opened districts is necessary. In mines where extraction does not entail gas-related hazards, there is possibility of implementing a push-pull ventilation system in order to supplement airflows to newly developed mining fields. This is achieved by installing subsurface fan stations with forcing fans at the bottom of downcast shaft. In push-pull systems with multiple main fans, it is vital to select forcing fans with characteristic curves matching those of the existing exhaust fans to prevent undesirable mutual interaction. In complex ventilation networks it is necessary to calculate distribution of airflow (especially in networks with a large number of installed fans). In the article the influence of applying additional forcing fans for the air distribution in ventilation network for underground mine were considered. There are also analysed the extent of overpressure caused by the additional forcing fan in branches of the ventilation network (the operating range of additional forcing fan). Possibilities of increasing airflow rate in working areas were conducted.

Characterization of Akiyama probe applied to dual-probes atomic force microscope

NASA Astrophysics Data System (ADS)

Wang, Hequn; Gao, Sitian; Li, Wei; Shi, Yushu; Li, Qi; Li, Shi; Zhu, Zhendong

2016-10-01

The measurement of nano-scale line-width has always been important and difficult in the field of nanometer measurements, while the rapid development of integrated circuit greatly raises the demand again. As one kind of scanning probe microscope (SPM), atomic force microscope (AFM) can realize quasi three-dimensional measurement, which is widely used in nanometer scale line-width measurement. Our team researched a dual-probes atomic force microscope, which can eliminate the prevalent effect of probe width on measurement results. In dual-probes AFM system, a novel head are newly designed. A kind of self-sensing and self-exciting probes which is Nanosensors cooperation's patented probe—Akiyama probe, is used in this novel head. The Akiyama probe applied to dual-probe atomic force microscope is one of the most important issues. The characterization of Akiyama probe would affect performance and accuracy of the whole system. The fundamental features of the Akiyama probe are electrically and optically characterized in "approach-withdraw" experiments. Further investigations include the frequency response of an Akiyama probe to small mechanical vibrations externally applied to the tip and the effective loading force yielding between the tip and the sample during the periodic contact. We hope that the characterization of the Akiyama probe described in this paper will guide application for dual-probe atomic force microscope.

Transitioning from Faculty-Led Lecture to Student-Centered Field Learning Facilitated by Near-Peer Mentors: Preliminary Findings from the GeoFORCE/ STEMFORCE Program.

NASA Astrophysics Data System (ADS)

Berry, M.; Wright, V. D.; Ellins, K. K.; Browder, M. G. J.; Castillo, R.; Kotowski, A. J.; Libarkin, J. C.; Lu, J.; Maredia, N.; Butler, N.

2017-12-01

GeoFORCE Texas, a geology-based outreach program in the Jackson School of Geosciences, offers weeklong summer geology field based courses to secondary students from minority-serving high schools in Texas and the Bahamas. Students transitioning from eighth to ninth grade are recruited into the program and ideally remain in GeoFORCE for four years. The program aims to empower underrepresented students by exposing them to experiences intended to inspire them to pursue geoscience or other STEM careers. Since the program's inception in 2005, GeoFORCE Texas has relied on a mix of classroom lectures delivered by a geoscience faculty member and time in the field. Early research findings from a National Science Foundation-sponsored GeoPaths-IMPACT project are influencing the evolution of field instruction away from the faculty-led lecture model to student-centered learning that may improve students' grasp of key geological concepts. The eleventh and twelfth grade programs are shifting towards this strategy. Each trip is facilitated by a seven-person team comprised of a geoscience graduate student, master teachers, four undergraduate geology students, and preservice teachers. Members of the instructional team reflected the racial, ethnic, and cultural diversity that the geoscience strives to achieve; all are excellent role models for GeoFORCE students. The outcome of the most recent Central Texas twelfth grade trip, which used a student-centered, project-based approach, was especially noteworthy. Each group was given a topic to apply to what they saw in the field, such as fluvial systems, cultural significance, or geohazards, etc., and present in any manner in front of peers and a panel of geoscience experts. Students used the latest presentation technology available to them (e.g. Prezi, iMovies) and sketches and site notes from field stops. The final presentations were clear, informative, and entertaining. It can be concluded that the students were more engaged with the peer-teaching method than in prior years when they read the field manuals. Knowing they had to produce a presentation gave them motivation to focus and absorb information. They successfully took their new geological knowledge and applied existing skillsets that will be useful for college and, hopefully, a future career in geosciences or STEM field.

Force Field Benchmark of Organic Liquids: Density, Enthalpy of Vaporization, Heat Capacities, Surface Tension, Isothermal Compressibility, Volumetric Expansion Coefficient, and Dielectric Constant.

PubMed

Caleman, Carl; van Maaren, Paul J; Hong, Minyan; Hub, Jochen S; Costa, Luciano T; van der Spoel, David

2012-01-10

The chemical composition of small organic molecules is often very similar to amino acid side chains or the bases in nucleic acids, and hence there is no a priori reason why a molecular mechanics force field could not describe both organic liquids and biomolecules with a single parameter set. Here, we devise a benchmark for force fields in order to test the ability of existing force fields to reproduce some key properties of organic liquids, namely, the density, enthalpy of vaporization, the surface tension, the heat capacity at constant volume and pressure, the isothermal compressibility, the volumetric expansion coefficient, and the static dielectric constant. Well over 1200 experimental measurements were used for comparison to the simulations of 146 organic liquids. Novel polynomial interpolations of the dielectric constant (32 molecules), heat capacity at constant pressure (three molecules), and the isothermal compressibility (53 molecules) as a function of the temperature have been made, based on experimental data, in order to be able to compare simulation results to them. To compute the heat capacities, we applied the two phase thermodynamics method (Lin et al. J. Chem. Phys.2003, 119, 11792), which allows one to compute thermodynamic properties on the basis of the density of states as derived from the velocity autocorrelation function. The method is implemented in a new utility within the GROMACS molecular simulation package, named g_dos, and a detailed exposé of the underlying equations is presented. The purpose of this work is to establish the state of the art of two popular force fields, OPLS/AA (all-atom optimized potential for liquid simulation) and GAFF (generalized Amber force field), to find common bottlenecks, i.e., particularly difficult molecules, and to serve as a reference point for future force field development. To make for a fair playing field, all molecules were evaluated with the same parameter settings, such as thermostats and barostats, treatment of electrostatic interactions, and system size (1000 molecules). The densities and enthalpy of vaporization from an independent data set based on simulations using the CHARMM General Force Field (CGenFF) presented by Vanommeslaeghe et al. (J. Comput. Chem.2010, 31, 671) are included for comparison. We find that, overall, the OPLS/AA force field performs somewhat better than GAFF, but there are significant issues with reproduction of the surface tension and dielectric constants for both force fields.

Force Field Benchmark of Organic Liquids: Density, Enthalpy of Vaporization, Heat Capacities, Surface Tension, Isothermal Compressibility, Volumetric Expansion Coefficient, and Dielectric Constant

PubMed Central

2011-01-01

The chemical composition of small organic molecules is often very similar to amino acid side chains or the bases in nucleic acids, and hence there is no a priori reason why a molecular mechanics force field could not describe both organic liquids and biomolecules with a single parameter set. Here, we devise a benchmark for force fields in order to test the ability of existing force fields to reproduce some key properties of organic liquids, namely, the density, enthalpy of vaporization, the surface tension, the heat capacity at constant volume and pressure, the isothermal compressibility, the volumetric expansion coefficient, and the static dielectric constant. Well over 1200 experimental measurements were used for comparison to the simulations of 146 organic liquids. Novel polynomial interpolations of the dielectric constant (32 molecules), heat capacity at constant pressure (three molecules), and the isothermal compressibility (53 molecules) as a function of the temperature have been made, based on experimental data, in order to be able to compare simulation results to them. To compute the heat capacities, we applied the two phase thermodynamics method (Lin et al. J. Chem. Phys.2003, 119, 11792), which allows one to compute thermodynamic properties on the basis of the density of states as derived from the velocity autocorrelation function. The method is implemented in a new utility within the GROMACS molecular simulation package, named g_dos, and a detailed exposé of the underlying equations is presented. The purpose of this work is to establish the state of the art of two popular force fields, OPLS/AA (all-atom optimized potential for liquid simulation) and GAFF (generalized Amber force field), to find common bottlenecks, i.e., particularly difficult molecules, and to serve as a reference point for future force field development. To make for a fair playing field, all molecules were evaluated with the same parameter settings, such as thermostats and barostats, treatment of electrostatic interactions, and system size (1000 molecules). The densities and enthalpy of vaporization from an independent data set based on simulations using the CHARMM General Force Field (CGenFF) presented by Vanommeslaeghe et al. (J. Comput. Chem.2010, 31, 671) are included for comparison. We find that, overall, the OPLS/AA force field performs somewhat better than GAFF, but there are significant issues with reproduction of the surface tension and dielectric constants for both force fields. PMID:22241968

Enhanced Particle Swarm Optimization Algorithm: Efficient Training of ReaxFF Reactive Force Fields.

PubMed

Furman, David; Carmeli, Benny; Zeiri, Yehuda; Kosloff, Ronnie

2018-06-12

Particle swarm optimization (PSO) is a powerful metaheuristic population-based global optimization algorithm. However, when it is applied to nonseparable objective functions, its performance on multimodal landscapes is significantly degraded. Here we show that a significant improvement in the search quality and efficiency on multimodal functions can be achieved by enhancing the basic rotation-invariant PSO algorithm with isotropic Gaussian mutation operators. The new algorithm demonstrates superior performance across several nonlinear, multimodal benchmark functions compared with the rotation-invariant PSO algorithm and the well-established simulated annealing and sequential one-parameter parabolic interpolation methods. A search for the optimal set of parameters for the dispersion interaction model in the ReaxFF- lg reactive force field was carried out with respect to accurate DFT-TS calculations. The resulting optimized force field accurately describes the equations of state of several high-energy molecular crystals where such interactions are of crucial importance. The improved algorithm also presents better performance compared to a genetic algorithm optimization method in the optimization of the parameters of a ReaxFF- lg correction model. The computational framework is implemented in a stand-alone C++ code that allows the straightforward development of ReaxFF reactive force fields.

Applying the new HIT results to tokamak and solar plasmas

NASA Astrophysics Data System (ADS)

Jarboe, Thomas; Sutherland, Derek; Hossack, Aaron; Nelson, Brian; Morgan, Kyle; Chris, Hansen; Benedett, Thomas; Everson, Chris; Penna, James

2016-10-01

Understanding sustainment of stable equilibria with helicity injection in HIT-SI has led to a simple picture of several tokamak features. Perturbations cause a viscous-like force on the current that flattens the λ profile, which sustains and stabilizes the equilibrium. An explanation of the mechanism is based on two properties of stable, ideal, two-fluid, magnetized plasma. First, the electron fluid is frozen to magnetic fields and, therefore, current flow is also magnetic field flow. Second, for a stable equilibrium the structure perpendicular to the flux surface resists deformation. Thus toroidal current is from electrons frozen in nested, rotating resilient flux surfaces. Only symmetric flux surfaces allow free differential current flow. Perturbations cause interference of the flux surfaces. Thus, perturbations cause forces that oppose differential electron rotation and forced differential flow produces a symmetrizing force against perturbations and instability. This mechanism can explain the level of field error that spoils tokamak performance and the rate of poloidal flux loss in argon-induced disruptions in DIII-D. This new understanding has led to an explanation of the source of the solar magnetic fields and the power source for the chromosphere, solar wind and corona. Please place in spheromak and FRC section with other HIT posters.

Cytoplasmic motion induced by cytoskeleton stretching and its effect on cell mechanics.

PubMed

Zhang, T

2011-09-01

Cytoplasmic motion assumed as a steady state laminar flow induced by cytoskeleton stretching in a cell is determined and its effect on the mechanical behavior of the cell under externally applied forces is demonstrated. Non-Newtonian fluid is assumed for the multiphase cytoplasmic fluid and the analytical velocity field around the macromolecular chain is obtained by solving the reduced nonlinear momentum equation using homotopy technique. The entropy generation by the fluid internal friction is calculated and incorporated into the entropic elasticity based 8-chain constitutive relations. Numerical examples showed strengthening behavior of cells in response to externally applied mechanical stimuli. The spatial distribution of the stresses within a cell under externally applied fluid flow forces were also studied.

Influence of gas flow and applied voltage on interaction of jets in a cross-field helium plasma jet array

NASA Astrophysics Data System (ADS)

Wan, Meng; Liu, Feng; Fang, Zhi; Zhang, Bo; Wan, Hui

2017-09-01

Atmospheric Pressure Plasma Jet arrays can greatly enhance the treatment area to fulfill the need for large-scale surface processing, while the spatial uniformity of the plasma jet array is closely related to the interactions of the adjacent jets. In this paper, a three-tube one-dimensional (1D) He plasma jet array with a cross-field needle-ring electrode structure is used to investigate the influences of the gas flow rate and applied voltage on the interactions of the adjacent jets through electrical, optical, and fluid measurements. The repulsion of the adjacent plume channels is observed using an intensified charge-coupled device (ICCD) and the influence of the gas flow rate and applied voltage on the electrostatic repulsion force, Coulomb force, is discussed. It is found that electrical coupling, mainly electrostatic repulsion force, exists among the jets in the array, which causes both the divergence of the lateral plumes and the nonlinear changes of the discharge power and the transport charge. The deflection angle of the lateral plumes with respect to the central plume in the optical images increases with the increase of applied voltage and decreases with the increase of gas flow rate. The deflection angle of the lateral plumes in the optical images is obviously larger than that of the lateral gas streams in the Schlieren images under the same experimental conditions, and the unconformity of the deflection angles is mainly attributed to the electrostatic repulsion force in adjacent plasma plume channels. The experimental results can help understand the interaction mechanisms of jets in the array and design controllable and scalable plasma jet arrays.

Quantitative modeling and optimization of magnetic tweezers.

PubMed

Lipfert, Jan; Hao, Xiaomin; Dekker, Nynke H

2009-06-17

Magnetic tweezers are a powerful tool to manipulate single DNA or RNA molecules and to study nucleic acid-protein interactions in real time. Here, we have modeled the magnetic fields of permanent magnets in magnetic tweezers and computed the forces exerted on superparamagnetic beads from first principles. For simple, symmetric geometries the magnetic fields can be calculated semianalytically using the Biot-Savart law. For complicated geometries and in the presence of an iron yoke, we employ a finite-element three-dimensional PDE solver to numerically solve the magnetostatic problem. The theoretical predictions are in quantitative agreement with direct Hall-probe measurements of the magnetic field and with measurements of the force exerted on DNA-tethered beads. Using these predictive theories, we systematically explore the effects of magnet alignment, magnet spacing, magnet size, and of adding an iron yoke to the magnets on the forces that can be exerted on tethered particles. We find that the optimal configuration for maximal stretching forces is a vertically aligned pair of magnets, with a minimal gap between the magnets and minimal flow cell thickness. Following these principles, we present a configuration that allows one to apply > or = 40 pN stretching forces on approximately 1-microm tethered beads.

Quantitative Modeling and Optimization of Magnetic Tweezers

PubMed Central

Lipfert, Jan; Hao, Xiaomin; Dekker, Nynke H.

2009-01-01

Abstract Magnetic tweezers are a powerful tool to manipulate single DNA or RNA molecules and to study nucleic acid-protein interactions in real time. Here, we have modeled the magnetic fields of permanent magnets in magnetic tweezers and computed the forces exerted on superparamagnetic beads from first principles. For simple, symmetric geometries the magnetic fields can be calculated semianalytically using the Biot-Savart law. For complicated geometries and in the presence of an iron yoke, we employ a finite-element three-dimensional PDE solver to numerically solve the magnetostatic problem. The theoretical predictions are in quantitative agreement with direct Hall-probe measurements of the magnetic field and with measurements of the force exerted on DNA-tethered beads. Using these predictive theories, we systematically explore the effects of magnet alignment, magnet spacing, magnet size, and of adding an iron yoke to the magnets on the forces that can be exerted on tethered particles. We find that the optimal configuration for maximal stretching forces is a vertically aligned pair of magnets, with a minimal gap between the magnets and minimal flow cell thickness. Following these principles, we present a configuration that allows one to apply ≥40 pN stretching forces on ≈1-μm tethered beads. PMID:19527664

Accurate interatomic force fields via machine learning with covariant kernels

NASA Astrophysics Data System (ADS)

Glielmo, Aldo; Sollich, Peter; De Vita, Alessandro

2017-06-01

We present a novel scheme to accurately predict atomic forces as vector quantities, rather than sets of scalar components, by Gaussian process (GP) regression. This is based on matrix-valued kernel functions, on which we impose the requirements that the predicted force rotates with the target configuration and is independent of any rotations applied to the configuration database entries. We show that such covariant GP kernels can be obtained by integration over the elements of the rotation group SO (d ) for the relevant dimensionality d . Remarkably, in specific cases the integration can be carried out analytically and yields a conservative force field that can be recast into a pair interaction form. Finally, we show that restricting the integration to a summation over the elements of a finite point group relevant to the target system is sufficient to recover an accurate GP. The accuracy of our kernels in predicting quantum-mechanical forces in real materials is investigated by tests on pure and defective Ni, Fe, and Si crystalline systems.

Lorentz force particle analyzer

NASA Astrophysics Data System (ADS)

Wang, Xiaodong; Thess, André; Moreau, René; Tan, Yanqing; Dai, Shangjun; Tao, Zhen; Yang, Wenzhi; Wang, Bo

2016-07-01

A new contactless technique is presented for the detection of micron-sized insulating particles in the flow of an electrically conducting fluid. A transverse magnetic field brakes this flow and tends to become entrained in the flow direction by a Lorentz force, whose reaction force on the magnetic-field-generating system can be measured. The presence of insulating particles suspended in the fluid produce changes in this Lorentz force, generating pulses in it; these pulses enable the particles to be counted and sized. A two-dimensional numerical model that employs a moving mesh method demonstrates the measurement principle when such a particle is present. Two prototypes and a three-dimensional numerical model are used to demonstrate the feasibility of a Lorentz force particle analyzer (LFPA). The findings of this study conclude that such an LFPA, which offers contactless and on-line quantitative measurements, can be applied to an extensive range of applications. These applications include measurements of the cleanliness of high-temperature and aggressive molten metal, such as aluminum and steel alloys, and the clean manufacturing of semiconductors.

Centrifuges in gravitational physiology research

NASA Technical Reports Server (NTRS)

Ballard, Rodney W.; Davies, Phil; Fuller, Charles A.

1993-01-01

Data from space flight and ground based experiments have clearly demonstrated the importance of Earth gravity for normal physiological function in man and animals. Gravitational Physiology is concerned with the role and influence of gravity on physiological systems. Research in this field examines how we perceive and respond to gravity and the mechanisms underlying these responses. Inherent in our search for answers to these questions is the ability to alter gravity, which is not physically possible without leaving Earth. However, useful experimental paradigms have been to modify the perceived force of gravity by changing either the orientation of subjects to the gravity vector (i.e., postural changes) or by applying inertial forces to augment the magnitude of the gravity vector. The later technique has commonly been used by applying centripetal force via centrifugation.

On the Adaptation of Pelvic Motion by Applying 3-dimensional Guidance Forces Using TPAD.

PubMed

Kang, Jiyeon; Vashista, Vineet; Agrawal, Sunil K

2017-09-01

Pelvic movement is important to human locomotion as the center of mass is located near the center of pelvis. Lateral pelvic motion plays a crucial role to shift the center of mass on the stance leg, while swinging the other leg and keeping the body balanced. In addition, vertical pelvic movement helps to reduce metabolic energy expenditure by exchanging potential and kinetic energy during the gait cycle. However, patient groups with cerebral palsy or stroke have excessive pelvic motion that leads to high energy expenditure. In addition, they have higher chances of falls as the center ofmass could deviate outside the base of support. In this paper, a novel control method is suggested using tethered pelvic assist device (TPAD) to teach subjects to walk with a specified target pelvic trajectory while walking on a treadmill. In this method, a force field is applied to the pelvis to guide it to move on a target trajectory and correctional forces are applied, if the pelvis motion has excessive deviations from the target trajectory. Three different experimentswith healthy subjects were conducted to teach them to walk on a new target pelvic trajectory with the presented control method. For all three experiments, the baseline trajectory of the pelvis was experimentally determined for each participating subject. To design a target pelvic trajectory which is different from the baseline, Experiment I scaled up the lateral component of the baseline pelvic trajectory, while Experiment II scaled down the lateral component of the baseline trajectory. For both Experiments I and II, the controller generated a 2-D force field in the transverse plane to provide the guidance force. In this paper, seven subjects were recruited for each experiment who walked on the treadmill with suggested control methods and visual feedback of their pelvic trajectory. The results show that the subjects were able to learn the target pelvic trajectory in each experiment and also retained the training effects after the completion of the experiment. In Experiment III, both lateral and vertical components of the pelvic trajectory were scaled down from the baseline trajectory. The force field was extended to three dimensions in order to correct the vertical pelvic movement as well. Three subgroups (force feedback alone, visual feedback alone, and both force and visual feedback) were recruited to understand the effects of force feedback and visual feedback alone to distinguish the results from Experiments I and II. The results showthat a trainingmethod that combines visual and force feedback is superior to the training methods with visual or force feedback alone. We believe that the present control strategy holds potential in training and correcting abnormal pelvic movements in different patient populations.

Modulation of local field potential power of the subthalamic nucleus during isometric force generation in patients with Parkinson's disease.

PubMed

Florin, E; Dafsari, H S; Reck, C; Barbe, M T; Pauls, K A M; Maarouf, M; Sturm, V; Fink, G R; Timmermann, L

2013-06-14

Investigations of local field potentials of the subthalamic nucleus of patients with Parkinson's disease have provided evidence for pathologically exaggerated oscillatory beta-band activity (13-30 Hz) which is amenable to physiological modulation by, e.g., voluntary movement. Previous functional magnetic resonance imaging studies in healthy controls have provided evidence for an increase of subthalamic nucleus blood-oxygenation-level-dependant signal in incremental force generation tasks. However, the modulation of neuronal activity by force generation and its relationship to peripheral feedback remain to be elucidated. We hypothesised that beta-band activity in the subthalamic nucleus is modulated by incremental force generation. Subthalamic nucleus local field potentials were recorded intraoperatively in 13 patients with Parkinson's disease (37 recording sites) during rest and five incremental isometric force generation conditions of the arm with applied loads of 0-400 g (in 100-g increments). Repeated measures analysis of variance (ANOVA) revealed a modulation of local field potential (LFP) power in the upper beta-band (in 24-30 Hz; F(₃.₀₄₂)=4.693, p=0.036) and the gamma-band (in 70-76 Hz; F(₄)=4.116, p=0.036). Granger-causality was computed with the squared partial directed coherence and showed no significant modulation during incremental isometric force generation. Our findings indicate that the upper beta- and gamma-band power of subthalamic nucleus local field potentials are modulated by the physiological task of force generation in patients with Parkinson's disease. This modulation seems to be not an effect of a modulation of peripheral feedback. Copyright © 2013 IBRO. Published by Elsevier Ltd. All rights reserved.

Micro-hole array fluorescent sensor based on AC-Dielectrophoresis (DEP) for simultaneous analysis of nano-molecules

NASA Astrophysics Data System (ADS)

Kim, Hye Jin; Kang, Dong-Hoon; Lee, Eunji; Hwang, Kyo Seon; Shin, Hyun-Joon; Kim, Jinsik

2018-02-01

We propose a simple fluorescent bio-chip based on two types of alternative current-dielectrophoretic (AC-DEP) force, attractive (positive DEP) and repulsive (negative DEP) force, for simultaneous nano-molecules analysis. Various radius of micro-holes on the bio-chip are designed to apply the different AC-DEP forces, and the nano-molecules are concentrated inside the micro-hole arrays according to the intensity of the DEP force. The bio-chip was fabricated by Micro Electro Mechanical system (MEMS) technique, and was composed of two layers; a SiO2 layer and Ta/Pt layer were accomplished for an insulation layer and a top electrode with micro-hole arrays to apply electric fields for DEP force, respectively. Each SiO2 and Ta/Pt layers were deposited by thermal oxidation and sputtering, and micro-hole arrays were fabricated with Inductively Coupled Plasma (ICP) etching process. For generation of each positive and negative DEP at micro-holes, we applied two types of sine-wave AC voltage with different frequency range alternately. The intensity of the DEP force was controlled by the radius of the micro-hole and size of nano-molecule, and calculated with COMSOL multi-physics. Three types of nano-molecules labelled with different fluorescent dye were used and the intensity of nano-molecules was examined by the fluorescent optical analysis after applying the DEP force. By analyzing the fluorescent intensities of the nano-molecules, we verify the various nano-molecules in analyte are located successfully inside corresponding micro-holes with different radius according to their size.

The use of electromagnetic body forces to enhance the quality of laser welds

NASA Astrophysics Data System (ADS)

Ambrosy, Guenter; Berger, P.; Huegel, H.; Lindenau, D.

2003-11-01

The use of electromagnetic body forces in laser beam welding of aluminum alloys is a new method to shape the geometry and to enhance the quality of the weld seams. In this new approach, electromagnetic volume forces are utilized by applying magnetic fields and electric currents of various origins. Acting in the liquid metal, they directly affect the flow field and can lead to favourable conditions for the melt dynamics and energy coupling. Numerous welds with full and partial penetration using both CO2 and Nd:YAG lasers demonstrate that this method directly influences the seam geometry and top-bead topography as well as the penetration depth and the evolution of pores and cracks. In the case of full penetration, it is also possible to lift or to lower the weld pool. The method, therefore, can be used to shape the geometry and to enhance the quality of the weld seam. Depending on the orientation of an external magnetic field, significant impacts are achieved in CO2 welding, even without an external current: the shape of the cross-sectional area can be increased of up to 50% and also the seam width is changed. Whereas for such conditions with Nd:YAG lasers no significant effect could be observed, it turned out that, when an external electric current is applied, similar effects are present with both wavelengths. In further investigations, the effect of electromagnetic body forces resulting from the interaction of an external current and its self-induced magnetic field was studied. Hereby, the current was fed into the workpiece via a tungsten electrode or a filler wire. The resulting phenomena are the same independent from wavelength and means of current feed.

A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations.

PubMed

Duan, Yong; Wu, Chun; Chowdhury, Shibasish; Lee, Mathew C; Xiong, Guoming; Zhang, Wei; Yang, Rong; Cieplak, Piotr; Luo, Ray; Lee, Taisung; Caldwell, James; Wang, Junmei; Kollman, Peter

2003-12-01

Molecular mechanics models have been applied extensively to study the dynamics of proteins and nucleic acids. Here we report the development of a third-generation point-charge all-atom force field for proteins. Following the earlier approach of Cornell et al., the charge set was obtained by fitting to the electrostatic potentials of dipeptides calculated using B3LYP/cc-pVTZ//HF/6-31G** quantum mechanical methods. The main-chain torsion parameters were obtained by fitting to the energy profiles of Ace-Ala-Nme and Ace-Gly-Nme di-peptides calculated using MP2/cc-pVTZ//HF/6-31G** quantum mechanical methods. All other parameters were taken from the existing AMBER data base. The major departure from previous force fields is that all quantum mechanical calculations were done in the condensed phase with continuum solvent models and an effective dielectric constant of epsilon = 4. We anticipate that this force field parameter set will address certain critical short comings of previous force fields in condensed-phase simulations of proteins. Initial tests on peptides demonstrated a high-degree of similarity between the calculated and the statistically measured Ramanchandran maps for both Ace-Gly-Nme and Ace-Ala-Nme di-peptides. Some highlights of our results include (1) well-preserved balance between the extended and helical region distributions, and (2) favorable type-II poly-proline helical region in agreement with recent experiments. Backward compatibility between the new and Cornell et al. charge sets, as judged by overall agreement between dipole moments, allows a smooth transition to the new force field in the area of ligand-binding calculations. Test simulations on a large set of proteins are also discussed. Copyright 2003 Wiley Periodicals, Inc. J Comput Chem 24: 1999-2012, 2003

Traveling Magnetic Field Applications for Vertical Bridgman Growth: Modeling and Experiment

NASA Technical Reports Server (NTRS)

Mazuruk, Konstantin

2004-01-01

Traveling magnetic fields offer a direct control of the metallic melt meridional flow in long cylinders. It induces the Lorentz body force that can counteract with the buoyancy force induced by radial temperature non-uniformity. It can significantly offset a natural convection in the system, or it can even set up the flow in opposite direction, thus affecting the interface shape, the growth rate and macrosegregation. Results of our numerical modeling of the Vertical Bridgman crystal growth of InSb will be discussed. The experimental part of this investigation will address the effect of the applied traveling magnetic fields on the interface shape of InSb crystals. Specifics of the growth apparatus design for this research will be provided in details.

Magnetic field concentration using ferromagnetic material to propel a wireless power transfer based micro-robot

NASA Astrophysics Data System (ADS)

Kim, Dongwook; Park, Bumjin; Park, Jaehyoung; Park, Hyun Ho; Ahn, Seungyoung

2018-05-01

In this paper, we propose a novel coil structure, using a ferromagnetic material which concentrates the magnetic field, as the propulsion system of a wireless power transfer (WPT) based micro-robot. This structure uses an incident magnetic field to induce current during wireless power transfer, to generate a Lorentz force. To prevent net cancelation of the Lorentz force in the load coil, ferrite films were applied to one side of the coil segment. The demonstrated simplicity and effectiveness of the proposed micro-robot showed its suitability for applications. Simulation and experimental results confirmed a velocity of 1.02 mm/s with 6 mW power transfer capacity for the 3 mm sized micro-robot.

Numerical analysis of the in-well vapor-stripping system demonstration at Edwards Air Force Base

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

White, M.D.; Gilmore, T.J.

1996-10-01

Numerical simulations, with the Subsurface Transport Over Multiple Phases (STOMP) simulator, were applied to the field demonstration of an in-well vapor-stripping system at Edwards Air Force Base (AFB), near Mojave, California. The demonstration field site on the Edwards AFB was previously contaminated from traversing groundwater that was contained a varied composition of volatile organic compounds (VOCs), which primarily includes trichloroethylene (TCE). Contaminant TCE originated from surface basin that had been used to collect runoff during the cleaning of experimental rocket powered planes in the 1960s and 1970s. This report documents those simulations and associated numerical analyses. A companion report documentsmore » the in- well vapor-stripping demonstration from a field perspective.« less

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

Park, Jong-Kyu; Logan, Nikolas C.

Toroidal torque is one of the most important consequences of non-axisymmetric fields in tokamaks. The well-known neoclassical toroidal viscosity (NTV) is due to the second-order toroidal force from anisotropic pressure tensor in the presence of these asymmetries. This work shows that the first-order toroidal force originating from the same anisotropic pressure tensor, despite having no flux surface average, can significantly modify the local perturbed force balance and thus must be included in perturbed equilibrium self-consistent with NTV. The force operator with an anisotropic pressure tensor is not self-adjoint when the NTV torque is finite and thus is solved directly formore » each component. This approach yields a modified, non-self-adjoint Euler-Lagrange equation that can be solved using a variety of common drift-kinetic models in generalized tokamak geometry. The resulting energy and torque integral provides a unique way to construct a torque response matrix, which contains all the information of self-consistent NTV torque profiles obtainable by applying non-axisymmetric fields to the plasma. This torque response matrix can then be used to systematically optimize non-axisymmetric field distributions for desired NTV profiles. Published by AIP Publishing.« less

Determining polarizable force fields with electrostatic potentials from quantum mechanical linear response theory

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

Wang, Hao; Yang, Weitao, E-mail: weitao.yang@duke.edu; Department of Physics, Duke University, Durham, North Carolina 27708

We developed a new method to calculate the atomic polarizabilities by fitting to the electrostatic potentials (ESPs) obtained from quantum mechanical (QM) calculations within the linear response theory. This parallels the conventional approach of fitting atomic charges based on electrostatic potentials from the electron density. Our ESP fitting is combined with the induced dipole model under the perturbation of uniform external electric fields of all orientations. QM calculations for the linear response to the external electric fields are used as input, fully consistent with the induced dipole model, which itself is a linear response model. The orientation of the uniformmore » external electric fields is integrated in all directions. The integration of orientation and QM linear response calculations together makes the fitting results independent of the orientations and magnitudes of the uniform external electric fields applied. Another advantage of our method is that QM calculation is only needed once, in contrast to the conventional approach, where many QM calculations are needed for many different applied electric fields. The molecular polarizabilities obtained from our method show comparable accuracy with those from fitting directly to the experimental or theoretical molecular polarizabilities. Since ESP is directly fitted, atomic polarizabilities obtained from our method are expected to reproduce the electrostatic interactions better. Our method was used to calculate both transferable atomic polarizabilities for polarizable molecular mechanics’ force fields and nontransferable molecule-specific atomic polarizabilities.« less

Spin-orbit induced electronic spin separation in semiconductor nanostructures.

PubMed

Kohda, Makoto; Nakamura, Shuji; Nishihara, Yoshitaka; Kobayashi, Kensuke; Ono, Teruo; Ohe, Jun-ichiro; Tokura, Yasuhiro; Mineno, Taiki; Nitta, Junsaku

2012-01-01

The demonstration of quantized spin splitting by Stern and Gerlach is one of the most important experiments in modern physics. Their discovery was the precursor of recent developments in spin-based technologies. Although electrical spin separation of charged particles is fundamental in spintronics, in non-uniform magnetic fields it has been difficult to separate the spin states of charged particles due to the Lorentz force, as well as to the insufficient and uncontrollable field gradients. Here we demonstrate electronic spin separation in a semiconductor nanostructure. To avoid the Lorentz force, which is inevitably induced when an external magnetic field is applied, we utilized the effective non-uniform magnetic field which originates from the Rashba spin-orbit interaction in an InGaAs-based heterostructure. Using a Stern-Gerlach-inspired mechanism, together with a quantum point contact, we obtained field gradients of 10(8) T m(-1) resulting in a highly polarized spin current.

Spin–orbit induced electronic spin separation in semiconductor nanostructures

PubMed Central

Kohda, Makoto; Nakamura, Shuji; Nishihara, Yoshitaka; Kobayashi, Kensuke; Ono, Teruo; Ohe, Jun-ichiro; Tokura, Yasuhiro; Mineno, Taiki; Nitta, Junsaku

2012-01-01

The demonstration of quantized spin splitting by Stern and Gerlach is one of the most important experiments in modern physics. Their discovery was the precursor of recent developments in spin-based technologies. Although electrical spin separation of charged particles is fundamental in spintronics, in non-uniform magnetic fields it has been difficult to separate the spin states of charged particles due to the Lorentz force, as well as to the insufficient and uncontrollable field gradients. Here we demonstrate electronic spin separation in a semiconductor nanostructure. To avoid the Lorentz force, which is inevitably induced when an external magnetic field is applied, we utilized the effective non-uniform magnetic field which originates from the Rashba spin–orbit interaction in an InGaAs-based heterostructure. Using a Stern–Gerlach-inspired mechanism, together with a quantum point contact, we obtained field gradients of 108 T m−1 resulting in a highly polarized spin current. PMID:23011136

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.

Decay characteristics of electroadhesive forces by periodic electrodes in dielectric layers

NASA Astrophysics Data System (ADS)

Lee, Junseok; Cha, Youngsu

2017-07-01

Electroadhesive force is the force generated by induced dipoles in the gradient of an electric field. Owing to its benefits of mechanical characteristics and versatility, it is widely used to hold and manipulate objects in robotic applications. So far, most studies in this field have been focused on the maximization of the magnitude of electroadhesive force. In this paper, we focus on the decay characteristics of electroadhesive force depending on the spatial distance from electrodes to employ the force to precisely separate a single layer from stacked dielectric layers. It turns out that all configurations with periodically repeating electrodes' arrangement, have the same decay characteristics which significantly depend on the geometrical period of the electrode patterns. Also, we find that the other parameters including the applied voltage and geometry of electrodes have little effect on the decay characteristics. The electric potential of an arbitrary electrode configuration is expanded in terms of the Fourier series, and we use it to analytically prove the high dependence of decay characteristics on the geometrical period. Numerical analysis is performed using the finite element method.

Current Approaches to the Assessment of Graphic Design in a Higher Education Context

ERIC Educational Resources Information Center

Giloi, Susan; du Toit, Pieter

2013-01-01

This article provides an overview of the current trends in assessment practice within the field of graphic design. The demands placed on educators to apply sound assessment practice for Higher Education subjects is as intense in the field of graphic design as in any other. Forcing the assessment of creative visual work into existing assessment…

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.

Electric-field-induced forces between two surfaces filled with an insulating liquid: the role of adsorbed water

NASA Astrophysics Data System (ADS)

Wang, Yong Jian; Xu, Zuli; Sheng, Ping; Tong, Penger

2014-06-01

A systematic study of the electric-field-induced forces between a solid glass sphere and a flat gold-plated substrate filled with an insulating liquid has been carried out. Using atomic force microscopy, we measure the electrostatic force f(s, V) between the sphere and substrate as a function of the surface separation s and applied voltage V. The measured f(s, V) is found to be well described by an equation for a conducting sphere. Further force measurements for the "wet" porous glass spheres filled with an aqueous solution of urea and the dried porous glass spheres filled with (dry) air suggest that there is a water layer of a few nanometers in thickness adsorbed on the hydrophilic glass surface under ambient conditions. This adsorbed water layer is more conductive than the dielectric core of the glass sphere, making the sphere surface to be at a potential close to that of the cantilever electrode. As a result, the electric field is strongly concentrated in the gap region between the glass sphere and gold-plate substrate and thus their electrostatic attraction is enhanced. This surface conductivity effect is further supported by the thermal gravimetric analysis (TGA) and force response measurements to a time-dependent electric field. The experiment clearly demonstrates that the adsorption of a conductive water layer on a hydrophilic surface plays a dominant role in determining the electrostatic interaction between the dielectric sphere and substrate.

Point force and point electric charge applied to the boundary of three-dimensional anisotropic piezoelectric solid

DOE PAGES

Borovikov, V. A.; Kalinin, S. V.; Khavin, Yu.; ...

2015-08-19

We derive the Green's functions for a three-dimensional semi-infinite fully anisotropic piezoelectric material using the plane wave theory method. The solution gives the complete set of electromechanical fields due to an arbitrarily oriented point force and a point electric charge applied to the boundary of the half-space. Moreover, the solution constitutes generalization of Boussinesq's and Cerruti's problems of elastic isotropy for the anisotropic piezoelectric materials. On the example of piezoceramics PZT-6B, the present results are compared with the previously obtained solution for the special case of transversely isotropic piezoelectric solid subjected to the same boundary condition.

Phantom energy mediates a long-range repulsive force.

PubMed

Amendola, Luca

2004-10-29

Scalar field models with nonstandard kinetic terms have been proposed in the context of k inflation, of Born-Infeld Lagrangians, of phantom energy and, more in general, of low-energy string theory. In general, scalar fields are expected to couple to matter inducing a new interaction. In this Letter I derive the cosmological perturbation equations and the Yukawa correction to gravity for such general models. I find three interesting results: first, when the field behaves as phantom energy (equation of state less than -1), then the coupling strength is negative, inducing a long-range repulsive force; second, the dark-energy field might cluster on astrophysical scales; third, applying the formalism to a Brans-Dicke theory with a general kinetic term it is shown that its Newtonian effects depend on a single parameter that generalizes the Brans-Dicke constant.

Uniform hydrogen fuel layers for inertial fusion targets by microgravity

NASA Technical Reports Server (NTRS)

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

1994-01-01

A critical concern in the fabrication of targets for inertial confinement fusion (ICF) is ensuring that the hydrogenic (D(sub 2) or DT) fuel layer maintains spherical symmetry. Solid layered targets have structural integrity, but lack the needed surface smoothness. Liquid targets are inherently smooth, but suffer from gravitationally induced sagging. One method to reduce the effective gravitational field environment is freefall insertion into the target chamber. Another method to counterbalance field gravitational force is to use an applied magnetic field combined with a gradient field to induce a magnetic dipole force on the liquid fuel layer. Based on time dependent calculations of the dynamics of the liquid fuel layer in microgravity environments, we show that it may be possible to produce a liquid layered ICF target that satisfies both smoothness and symmetry requirements.

Frequency-dependent local field factors in dielectric liquids by a polarizable force field and molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Davari, Nazanin; Haghdani, Shokouh; Åstrand, Per-Olof

2015-12-01

A force field model for calculating local field factors, i.e. the linear response of the local electric field for example at a nucleus in a molecule with respect to an applied electric field, is discussed. It is based on a combined charge-transfer and point-dipole interaction model for the polarizability, and thereby it includes two physically distinct terms for describing electronic polarization: changes in atomic charges arising from transfer of charge between the atoms and atomic induced dipole moments. A time dependence is included both for the atomic charges and the atomic dipole moments and if they are assumed to oscillate with the same frequency as the applied electric field, a model for frequency-dependent properties are obtained. Furthermore, if a life-time of excited states are included, a model for the complex frequency-dependent polariability is obtained including also information about excited states and the absorption spectrum. We thus present a model for the frequency-dependent local field factors through the first molecular excitation energy. It is combined with molecular dynamics simulations of liquids where a large set of configurations are sampled and for which local field factors are calculated. We are normally not interested in the average of the local field factor but rather in configurations where it is as high as possible. In electrical insulation, we would like to avoid high local field factors to reduce the risk for electrical breakdown, whereas for example in surface-enhanced Raman spectroscopy, high local field factors are desired to give dramatically increased intensities.

Evaluation of synthetic linear motor-molecule actuation energetics

PubMed Central

Brough, Branden; Northrop, Brian H.; Schmidt, Jacob J.; Tseng, Hsian-Rong; Houk, Kendall N.; Stoddart, J. Fraser; Ho, Chih-Ming

2006-01-01

By applying atomic force microscope (AFM)-based force spectroscopy together with computational modeling in the form of molecular force-field simulations, we have determined quantitatively the actuation energetics of a synthetic motor-molecule. This multidisciplinary approach was performed on specifically designed, bistable, redox-controllable [2]rotaxanes to probe the steric and electrostatic interactions that dictate their mechanical switching at the single-molecule level. The fusion of experimental force spectroscopy and theoretical computational modeling has revealed that the repulsive electrostatic interaction, which is responsible for the molecular actuation, is as high as 65 kcal·mol−1, a result that is supported by ab initio calculations. PMID:16735470

Conservative and dissipative force field for simulation of coarse-grained alkane molecules: A bottom-up approach

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

Trément, Sébastien; Rousseau, Bernard, E-mail: bernard.rousseau@u-psud.fr; Schnell, Benoît

2014-04-07

We apply operational procedures available in the literature to the construction of coarse-grained conservative and friction forces for use in dissipative particle dynamics (DPD) simulations. The full procedure rely on a bottom-up approach: large molecular dynamics trajectories of n-pentane and n-decane modeled with an anisotropic united atom model serve as input for the force field generation. As a consequence, the coarse-grained model is expected to reproduce at least semi-quantitatively structural and dynamical properties of the underlying atomistic model. Two different coarse-graining levels are studied, corresponding to five and ten carbon atoms per DPD bead. The influence of the coarse-graining levelmore » on the generated force fields contributions, namely, the conservative and the friction part, is discussed. It is shown that the coarse-grained model of n-pentane correctly reproduces self-diffusion and viscosity coefficients of real n-pentane, while the fully coarse-grained model for n-decane at ambient temperature over-predicts diffusion by a factor of 2. However, when the n-pentane coarse-grained model is used as a building block for larger molecule (e.g., n-decane as a two blobs model), a much better agreement with experimental data is obtained, suggesting that the force field constructed is transferable to large macro-molecular systems.« less

Magnetic Control of Convection in Electrically Nonconducting Fluids

NASA Technical Reports Server (NTRS)

Huang, Jie; Gray, Donald D.; Edwards, Boyd F.

1999-01-01

Inhomogeneous magnetic fields exert a body force on electrically nonconducting, magnetically permeable fluids. This force can be used to compensate for gravity and to control convection. The effects of uniform and nonuniform magnetic fields on a laterally unbounded fluid layer heated from below or above are studied using a linear stability analysis of the Navier-Stokes equations supplemented by Maxwell's equations and the appropriate magnetic body force. For a uniform oblique field, the analysis shows that longitudinal rolls with axes parallel to the horizontal component of the field are the rolls most unstable to convection. The corresponding critical Rayleigh number and critical wavelength for the onset of such rolls are less than the well-known Rayleigh-Benard values in the absence of magnetic fields. Vertical fields maximize these deviations, which vanish for horizontal fields. Horizontal fields increase the critical Rayleigh number and the critical wavelength for all rolls except longitudinal rolls. For a nonuniform field, our analysis shows that the magnetic effect on convection is represented by a dimensionless vector parameter which measures the relative strength of the induced magnetic buoyancy force due to the applied field gradient. The vertical component of this parameter competes with the gravitational buoyancy effect, and a critical relationship between this component and the Rayleigh number is identified for the onset of convection. Therefore, Rayleigh-Benard convection in such fluids can be enhanced or suppressed by the field. It also shows that magnetothermal convection is possible in both paramagnetic and diamagnetic fluids. Our theoretical predictions for paramagnetic fluids agree with experiments. Magnetically driven convection in diamagnetic fluids should be observable even in pure water using current technology.

Formation of Organized Protein Thin Films with External Electric Field.

PubMed

Ferreira, Cecília Fabiana da G; Camargo, Paulo C; Benelli, Elaine M

2015-10-01

The effect of an external electric field on the formation of protein GlnB-Hs films and on its buffer solution on siliconized glass slides has been analyzed by current versus electric field curves and atomic force microscopy (AFM). The Herbaspirillum seropedicae GlnB protein (GlnB-Hs) is a globular, soluble homotrimer (36 kDa) with its 3-D structure previously determined. Concentrations of 10 nM native denatured GlnB-Hs protein were deposited on siliconized glass slides under ambient conditions. Immediately after solution deposition a maximum electric field of 30 kV/m was applied with rates of 3 V/s. The measured currents were surface currents and were analyzed as transport current. Electric current started to flow only after a minimum electric field (critical value) for the systems analyzed. The AFM images showed films with a high degree of directional organization only when the proteins were present in the solution. These results showed that the applied electric field favored directional organization of the protein GlnB-Hs films and may contribute to understand the formation of protein films under applied electric fields.

Dynamics of structures in active suspensions of paramagnetic particles and applications to artificial micro-swimmers

NASA Astrophysics Data System (ADS)

Keaveny, Eric Edward

Micron-size paramagnetic particles suspended in viscous fluid will aggregate to form linear chains when subject to a uniform magnetic field. This process provides a way of changing the rheological properties of a suspension or building structures for microfluidic devices. We present a method to efficiently and accurately quantify the magnetic interactions between these particles. With this model and the force-coupling method, we perform simulations of both small ensembles and suspensions of thousands of paramagnetic particles subject to shear flows or rotating applied magnetic fields and demonstrate that in these situations an accurate representation of the fluid forces is necessary to estimate chain length. The artificial micro-swimmer is a device constructed from a flagellum-like tail of chemically linked paramagnetic beads tethered to a human red blood cell. To simulate this device, we develop an elastic coupling model that treats each chemical link as an inextensible, flexible rod. We demonstrate that when this device is subject to a rotating applied magnetic field, the filament tail will deform into a helical shape rotating with the field and propel the swimmer through the viscous fluid. Using a continuous elastica/resistive force model, we explore further the dependence of the swimming speed on the magnetic forces and swimmer geometry in the low frequency limit. We then examine the interactions between two comoving swimmers and ascertain at what separation distance a far-field approximation of the hydrodynamics is sufficient to reproduce the swimmers' dynamics. We also provide simulations of a single swimmer near a rigid surface and demonstrate that under certain conditions the presence of a wall can enhance the swimming speed. We determine further the height dependence of the repulsion from the surface, and, in the case of the spiral swimmer, the lateral drift speed. Finally, we consider a "squirmer" model for a swimming microorganism, appropriate for ciliary propulsion on time-scales much larger than the period of ciliary beating. We show that the "squirmer" model within the force-coupling method framework provides an effective simulation tool for studying low volume fraction suspensions of microorganisms.

Chaos as an intermittently forced linear system.

PubMed

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

2017-05-30

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

Evaluating the far-field sound of a turbulent jet with one-way Navier-Stokes equations

NASA Astrophysics Data System (ADS)

Pickering, Ethan; Rigas, Georgios; Towne, Aaron; Colonius, Tim

2017-11-01

The one-way Navier-Stokes (OWNS) method has shown promising ability to predict both near field coherent structures (i.e. wave packets) and far field acoustics of turbulent jets while remaining computationally efficient through implementation of a spatial marching scheme. Considering the speed and relative accuracy of OWNS, a predictive model for various jet configurations may be conceived and applied for noise control. However, there still remain discrepancies between OWNS and large eddy simulation (LES) databases which may be linked to the previous neglect of nonlinear forcing. Therefore, to better predict wave packets and far field acoustics, this study investigates the effect of nonlinear forcing terms derived from high-fidelity LES databases. The results of the nonlinear forcings are evaluated for several azimuthal modes and frequencies, as well as compared to LES derived acoustics using spectral proper orthogonal decomposition (SPOD). This research was supported by the Department of Defense (DoD) through the Office of Naval Research (Grant No. N00014-16-1-2445) and the National Defense Science & Engineering Graduate Fellowship (NDSEG) Program.

Criteria for disintegration of an uncharged conducting liquid jet in a transverse electric field

NASA Astrophysics Data System (ADS)

Zubareva, O. V.; Zubarev, N. M.; Volkov, N. B.

2018-01-01

An uncharged conducting liquid cylindrical column (a jet for applications) placed between a pair of flat electrodes is considered. In the trivial case, when the electric field is absent, the jet with circular cross-section is the only possible equilibrium configuration of the system. In the presence of a potential difference between the electrodes, the jet is deformed by the electrostatic forces: its cross-section stretches along the electric field lines. In the case of the mutual compensation of the electrostatic and capillary forces, a new equilibrium configuration of the jet can appear. In a sufficiently strong field, the balance of the forces becomes impossible, and the jet disintegrates (splits into two separate jets). In the present work, we find the range of the parameters (the applied potential difference and the interelectrode distance), where the problem of finding the equilibrium configurations of the jet has solutions. Also we obtain the conditions under which the solutions do not exist and, consequently, the jet splits. The results are compared with the previously studied limiting case of infinite interelectrode distance.

Airborne Next: Rethinking Airborne Organization and Applying New Concepts

DTIC Science & Technology

2015-06-01

9 Kenneth Macksey, Guderian: Panzer General-revised EDITION (South Yorkshire, England: Greenhill Books, 2003), 1–20. 10 Dr. John Arquilla...Airborne Operations: Field Manual 90=26, 1–5. 14 The 1st Special Forces Regiment has five active Special Forces Groups (1st, 3rd, 5th , 7th, 10th...Oxford University Press, 1981). Headrick, in his book, describes the interplay between technology and imperialism. For the purposes of this research

Numerical and experimental study on vorticity measurement in liquid metal using local Lorentz force velocimetry

NASA Astrophysics Data System (ADS)

Hernández, Daniel; Marangoni, Rafael; Schleichert, Jan; Karcher, Christian; Fröhlich, Thomas; Wondrak, Thomas

2018-03-01

Local Lorentz force velocimetry (local LFV) is a contactless velocity measurement technique for liquid metals. Due to the relative movement between an electrically conductive fluid and a static applied magnetic field, eddy currents and a flow-braking Lorentz force are generated inside the metal melt. This force is proportional to the flow rate or to the local velocity, depending on the volume subset of the flow spanned by the magnetic field. By using small-size magnets, a localized magnetic field distribution is achieved allowing a local velocity assessment in the region adjacent to the wall. In the present study, we describe a numerical model of our experiments at a continuous caster model where the working fluid is GaInSn in eutectic composition. Our main goal is to demonstrate that this electromagnetic technique can be applied to measure vorticity distributions, i.e. to resolve velocity gradients as well. Our results show that by using a cross-shaped magnet system, the magnitude of the torque perpendicular to the surface of the mold significantly increases improving its measurement in a liquid metal flow. According to our numerical model, this torque correlates with the vorticity of the velocity in this direction. Before validating our numerical predictions, an electromagnetic dry calibration of the measurement system composed of a multicomponent force and torque sensor and a cross-shaped magnet was done using a rotating disk made of aluminum. The sensor is able to measure simultaneously all three components of force and torque, respectively. This calibration step cannot be avoided and it is used for an accurate definition of the center of the magnet with respect to the sensor’s coordinate system for torque measurements. Finally, we present the results of the experiments at the mini-LIMMCAST facility showing a good agreement with the numerical model.

Histomorphometric study and three-dimensional reconstruction of the osteocyte lacuno-canalicular network one hour after applying tensile and compressive forces.

PubMed

Bozal, Carola B; Sánchez, Luciana M; Mandalunis, Patricia M; Ubios, Ángela M

2013-01-01

The occurrence of very early morphological changes in the osteocyte lacuno-canalicular network following application of tensile and/or compressive forces remains unknown to date. Thus, the aim of this study was to perform a morphological and morphometric evaluation of the changes in the three-dimensional structure of the lacuno-canalicular network and the osteocyte network of alveolar bone that take place very early after applying tensile and compressive forces in vivo, conducting static histomorphometry on bright-field microscopy and confocal laser scanning microscopy images. Our results showed that both the tensile and compressive forces induced early changes in osteocytes and their lacunae, which manifested as an increase in lacunar volume and changes in lacunar shape and orientation. An increase in canalicular width and a decrease in the width and an increase in the length of cytoplasmic processes were also observed. The morphological changes in the lacuno-canalicular and osteocyte networks that occur in vivo very early after application of tensile and compressive forces would be an indication of an increase in permeability within the system. Thus, both compressive and tensile forces would cause fluid displacement very soon after being applied; the latter would in turn rapidly activate alveolar bone osteocytes, enhancing transmission of the signals to the entire osteocyte network and the effector cells located at the bone surface. Copyright © 2013 S. Karger AG, Basel.

Magnetic Damping of g-Jitter Induced Double-Diffusive Convection

NASA Technical Reports Server (NTRS)

Shu, Y.; Li, B. Q.; deGroh, H. C.

2001-01-01

This paper describes a numerical study of the g-jitter driven double diffusive convective flows, thermal and concentration distributions in binary alloy melt systems subject to an external magnetic field. The study is based on the finite element solution of transient magnetohydrodynamic equations governing the momentum, thermal and solutal transport in the melt pool. Numerical simulations are conducted using the synthesized single- and multi- frequency g-jitter as well as the real g-jitter data taken during space flights with or without an applied magnetic field. It is found that for the conditions studied, the main melt flow follows approximately a lineal- superposition of velocity components induced by individual g-jitter components, regardless of whether a magnetic field exists or not. The flow field is characterized by a recirculating double diffusive convection loop oscillating in time with a defined frequency equal to that of the driving g-jitter force. An applied magnetic field has little effect on the oscillating recirculating pattern, except around the moment in time when the flow reverses its direction. The field has no effect on the oscillation period, but it changes the phase angle. It is very effective in suppressing the flow intensity and produces a notable reduction of the solutal striation and time fluctuations in the melt. For a given magnetic field strength, the magnetic damping effect is more pronounced on the velocity associated with the largest g-jitter component present and/or the g-jitter spiking peaks. A stronger magnetic field is more effective in suppressing the melt convection and also is more helpful in bringing the convection in phase with the g-jitter driving force. The applied field is particularly useful in suppressing the effect of real g-jitter spikes on both flow and solutal distributions. With appropriately selected magnetic fields, the convective flows caused by g-jitter can be reduced sufficiently and diffusion dominant. solutal transport in the melt is possible.

What Is Instrumented Learning? Part 1

ERIC Educational Resources Information Center

Blake, Robert; Mouton, Jane

1972-01-01

Although article is directed specifically towards improving sales techniques through self evaluation, it discusses various autoinstructional aids that could be applied to other fields. These include self-ranking against an objectives" grid, forced and multiple choice quizzes and the sentence-completion approach. (PD)

Ultrafast dynamics induced by the interaction of molecules with electromagnetic fields: Several quantum, semiclassical, and classical approaches.

PubMed

Antipov, Sergey V; Bhattacharyya, Swarnendu; El Hage, Krystel; Xu, Zhen-Hao; Meuwly, Markus; Rothlisberger, Ursula; Vaníček, Jiří

2017-11-01

Several strategies for simulating the ultrafast dynamics of molecules induced by interactions with electromagnetic fields are presented. After a brief overview of the theory of molecule-field interaction, we present several representative examples of quantum, semiclassical, and classical approaches to describe the ultrafast molecular dynamics, including the multiconfiguration time-dependent Hartree method, Bohmian dynamics, local control theory, semiclassical thawed Gaussian approximation, phase averaging, dephasing representation, molecular mechanics with proton transfer, and multipolar force fields. In addition to the general overview, some focus is given to the description of nuclear quantum effects and to the direct dynamics, in which the ab initio energies and forces acting on the nuclei are evaluated on the fly. Several practical applications, performed within the framework of the Swiss National Center of Competence in Research "Molecular Ultrafast Science and Technology," are presented: These include Bohmian dynamics description of the collision of H with H 2 , local control theory applied to the photoinduced ultrafast intramolecular proton transfer, semiclassical evaluation of vibrationally resolved electronic absorption, emission, photoelectron, and time-resolved stimulated emission spectra, infrared spectroscopy of H-bonding systems, and multipolar force fields applications in the condensed phase.

Mathematical Model for Collision-Coalescence Among Inclusions in the Bloom Continuous Caster with M-EMS

NASA Astrophysics Data System (ADS)

Lei, Hong; Jiang, Jimin; Yang, Bin; Zhao, Yan; Zhang, Hongwei; Wang, Weixian; Dong, Guiwen

2018-04-01

Mathematical simulation is an effective tool to analyze the fluid flow and the inclusion behavior in the bloom continuous caster with mold electromagnetic stirring (M-EMS). The mathematical model is applied to the modeling of magnetic field, flow field, and inclusion field. Due to the introduction of Archimedes force, the collision mechanism and inclusion's slipping velocity should be modified in the inclusion mass and population conservation model. Numerically predicted magnetic field, flow field, and the inclusion spatial distribution conform to the experimental results in the existing literature. Lorentz force plays an important role in the fluid flow, and Archimedes force plays an important role in the inclusion distribution in the continuous caster. Due to Brownian collision, Stokes collision, Archimedes collision, and turbulent collision, the coalescence among inclusions occurs in the bloom continuous caster with M-EMS. Among the four types of collisions, turbulent collision occurs most frequently, followed by Archimedes collision and Stokes collision. The frequency of Brownian collision is several orders of magnitudes smaller and is therefore negligible. The inclusion volume concentration, number density, and characteristic radius exhibit a U-shape in the continuous caster without M-EMS. However, with M-EMS, they exhibit an inverted U-shape.

Ultrafast dynamics induced by the interaction of molecules with electromagnetic fields: Several quantum, semiclassical, and classical approaches

PubMed Central

Antipov, Sergey V.; Bhattacharyya, Swarnendu; El Hage, Krystel; Xu, Zhen-Hao; Meuwly, Markus; Rothlisberger, Ursula; Vaníček, Jiří

2018-01-01

Several strategies for simulating the ultrafast dynamics of molecules induced by interactions with electromagnetic fields are presented. After a brief overview of the theory of molecule-field interaction, we present several representative examples of quantum, semiclassical, and classical approaches to describe the ultrafast molecular dynamics, including the multiconfiguration time-dependent Hartree method, Bohmian dynamics, local control theory, semiclassical thawed Gaussian approximation, phase averaging, dephasing representation, molecular mechanics with proton transfer, and multipolar force fields. In addition to the general overview, some focus is given to the description of nuclear quantum effects and to the direct dynamics, in which the ab initio energies and forces acting on the nuclei are evaluated on the fly. Several practical applications, performed within the framework of the Swiss National Center of Competence in Research “Molecular Ultrafast Science and Technology,” are presented: These include Bohmian dynamics description of the collision of H with H2, local control theory applied to the photoinduced ultrafast intramolecular proton transfer, semiclassical evaluation of vibrationally resolved electronic absorption, emission, photoelectron, and time-resolved stimulated emission spectra, infrared spectroscopy of H-bonding systems, and multipolar force fields applications in the condensed phase. PMID:29376107

Detection and characterization of elongated bubbles and drops in two-phase flow using magnetic fields

NASA Astrophysics Data System (ADS)

Wiederhold, A.; Boeck, T.; Resagk, C.

2017-08-01

We report a method to detect and to measure the size and velocity of elongated bubbles or drops in a dispersed two-phase flow. The difference of the magnetic susceptibilities between two phases causes a force on the interface between both phases when it is exposed to an external magnetic field. The force is measured with a state-of-the-art electromagnetic compensation balance. While the front and the back of the bubble pass the magnetic field, two peaks in the force signal appear, which can be used to calculate the velocity and geometry parameters of the bubble. We achieve a substantial advantage over other bubble detection techniques because this technique is contactless, non-invasive, independent of the electrical conductivity and can be applied to opaque or aggressive fluids. The measurements are performed in an inclined channel with air bubbles and paraffin oil drops in water. The bubble length is in the range of 0.1-0.25 m and the bubble velocity lies between 0.02-0.22 m s-1. Furthermore we show that it is possible to apply this measurement principle for nondestructive testing (NDT) of diamagnetic and paramagnetic materials like metal, plastics or glass, provided that defects are in the range of 10‒2 m. This technique opens up new possibilities in industrial applications to measure two-phase flow parameters and in material testing.

Development of a method to analyze single cell activity by using dielectrophoretic levitation.

PubMed

Hakoda, M; Hachisu, T; Wakizaka, Y; Mii, S; Kitajima, N

2005-01-01

In cell fusion and genetic recombination, although the activity of single cells is extremely important, there is no method to analyze single cell activity. Development of a quick analyzing method for single cell activity is desired in various fields. Dielectrophoresis (DEP) refers to the force exerted on the induced dipole moment of an uncharged dielectric and/or conductive particle by a nonuniform electric field. By applying DEP, we obtained experimentally a relationship between the cell activity and the dielectric property, Re[K(omega)], and examined how to evaluate the single cell activity by measuring Re[K(omega)] of a single cell. A cone and plate electrode geometry was adapted in order to achieve the feedback-controlled DEP levitation. The single cell is exposed to a nonuniform field induced by the cone and plate electrode, and a more polarizable cell is moved to the direction of the cone electrode by the DEP force. The cell settles in the position where the DEP force and gravity are balanced by controlling applied voltage. This settled position, measured on the center axis of the cone electrode, depended on the dielectric constant of the cell. From these results, the relationship between the specific growth rates in cell growth phase and the dielectric properties Re[K(omega)] was obtained. Furthermore, the effect on the cell activity of various stresses, such as concentration of carbon dioxide, temperature, etc., was examined.

Rippled graphene in an in-plane magnetic field: effects of a random vector potential.

PubMed

Lundeberg, Mark B; Folk, Joshua A

2010-10-01

We report measurements of the effects of a random vector potential generated by applying an in-plane magnetic field to a graphene flake. Magnetic flux through the ripples cause orbital effects: Phase-coherent weak localization is suppressed, while quasirandom Lorentz forces lead to anisotropic magnetoresistance. Distinct signatures of these two effects enable the ripple size to be characterized.

Positive and negative effective mass of classical particles in oscillatory and static fields.

PubMed

Dodin, I Y; Fisch, N J

2008-03-01

A classical particle oscillating in an arbitrary high-frequency or static field effectively exhibits a modified rest mass m(eff) derived from the particle averaged Lagrangian. Relativistic ponderomotive and diamagnetic forces, as well as magnetic drifts, are obtained from the m(eff) dependence on the guiding center location and velocity. The effective mass is not necessarily positive and can result in backward acceleration when an additional perturbation force is applied. As an example, adiabatic dynamics with m||>0 and m||<0 is demonstrated for a wave-driven particle along a dc magnetic field, m|| being the effective longitudinal mass derived from m(eff). Multiple energy states are realized in this case, yielding up to three branches of m|| for a given magnetic moment and parallel velocity.

Switching in Feedforward Control of Grip Force During Tool-Mediated Interaction With Elastic Force Fields

PubMed Central

White, Olivier; Karniel, Amir; Papaxanthis, Charalambos; Barbiero, Marie; Nisky, Ilana

2018-01-01

Switched systems are common in artificial control systems. Here, we suggest that the brain adopts a switched feedforward control of grip forces during manipulation of objects. We measured how participants modulated grip force when interacting with soft and rigid virtual objects when stiffness varied continuously between trials. We identified a sudden phase transition between two forms of feedforward control that differed in the timing of the synchronization between the anticipated load force and the applied grip force. The switch occurred several trials after a threshold stiffness level in the range 100–200 N/m. These results suggest that in the control of grip force, the brain acts as a switching control system. This opens new research questions as to the nature of the discrete state variables that drive the switching. PMID:29930504

Electric field induced self-assembly of monolayers of gold nanoparticles for surface enhanced Raman scattering applications

NASA Astrophysics Data System (ADS)

Das, Suchandra; Musunuri, Naga; Kucheryavy, Pavel; Lockard, Jenny; Fischer, Ian; Singh, Pushpendra; New Jersey Institute of Technology Collaboration; Rutgers University Newark Collaboration

2017-11-01

We present a technique that uses an electric field in the direction normal to the interface for self-assembling monolayers of gold nanoparticles on fluid-liquid interfaces and freezing these monolayers onto the surface of a flexible thin film. The electric field gives rise to dipole-dipole and capillary forces which cause the particles to arrange in a triangular pattern. The technique involves assembling the monolayer on the interface between a UV-curable resin and another fluid by applying an electric field, and then curing the resin by applying UV light. The monolayer becomes embedded on the surface of the solidified resin film. We are using these films for surface enhanced Raman scattering (SERS) applications. Initial measurements indicate improved performance over commercially available SERS substrates.

Lateral migration of a microdroplet under optical forces in a uniform flow

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

Cho, Hyunjun; Chang, Cheong Bong; Jung, Jin Ho

2014-12-15

The behavior of a microdroplet in a uniform flow and subjected to a vertical optical force applied by a loosely focused Gaussian laser beam was studied numerically. The lattice Boltzmann method was applied to obtain the two-phase flow field, and the dynamic ray tracing method was adopted to calculate the optical force. The optical forces acting on the spherical droplets agreed well with the analytical values. The numerically predicted droplet migration distances agreed well with the experimentally obtained values. Simulations of the various flow and optical parameters showed that the droplet migration distance nondimensionalized by the droplet radius is proportionalmore » to the S number (z{sub d}/r{sub p} = 0.377S), which is the ratio of the optical force to the viscous drag. The effect of the surface tension was also examined. These results indicated that the surface tension influenced the droplet migration distance to a lesser degree than the flow and optical parameters. The results of the present work hold for the refractive indices of the mean fluid and the droplet being 1.33 and 1.59, respectively.« less

Vertical-probe-induced asymmetric dust oscillation in complex plasma.

PubMed

Harris, B J; Matthews, L S; Hyde, T W

2013-05-01

A complex plasma vertical oscillation experiment which modifies the bulk is presented. Spherical, micron-sized particles within a Coulomb crystal levitated in the sheath above the powered lower electrode in a GEC reference cell are perturbed using a probe attached to a Zyvex S100 Nanomanipulator. By oscillating the probe potential sinusoidally, particle motion is found to be asymmetric, exhibiting superharmonic response in one case. Using a simple electric field model for the plasma sheath, including a nonzero electric field at the sheath edge, dust particle charges are found by employing a balance of relevant forces and emission analysis. Adjusting the parameters of the electric field model allowed the change predicted in the levitation height to be compared with experiment. A discrete oscillator Green's function is applied using the derived force, which accurately predicts the particle's motion and allows the determination of the electric field at the sheath edge.

Inverse tissue mechanics of cell monolayer expansion.

PubMed

Kondo, Yohei; Aoki, Kazuhiro; Ishii, Shin

2018-03-01

Living tissues undergo deformation during morphogenesis. In this process, cells generate mechanical forces that drive the coordinated cell motion and shape changes. Recent advances in experimental and theoretical techniques have enabled in situ measurement of the mechanical forces, but the characterization of mechanical properties that determine how these forces quantitatively affect tissue deformation remains challenging, and this represents a major obstacle for the complete understanding of morphogenesis. Here, we proposed a non-invasive reverse-engineering approach for the estimation of the mechanical properties, by combining tissue mechanics modeling and statistical machine learning. Our strategy is to model the tissue as a continuum mechanical system and to use passive observations of spontaneous tissue deformation and force fields to statistically estimate the model parameters. This method was applied to the analysis of the collective migration of Madin-Darby canine kidney cells, and the tissue flow and force were simultaneously observed by the phase contrast imaging and traction force microscopy. We found that our monolayer elastic model, whose elastic moduli were reverse-engineered, enabled a long-term forecast of the traction force fields when given the tissue flow fields, indicating that the elasticity contributes to the evolution of the tissue stress. Furthermore, we investigated the tissues in which myosin was inhibited by blebbistatin treatment, and observed a several-fold reduction in the elastic moduli. The obtained results validate our framework, which paves the way to the estimation of mechanical properties of living tissues during morphogenesis.

GNSS orbit determination by precise modeling of non-gravitational forces acting on satellite's body

NASA Astrophysics Data System (ADS)

Wielgosz, Agata; Kalarus, Maciej; Liwosz, Tomasz

2016-04-01

Satellites orbiting around Earth are affected by gravitational forces and non-gravitational perturbations (NGP). While the perturbations caused by gravitational forces, which are due to central body gravity (including high-precision geopotential field) and its changes (due to secular variations and tides), solar bodies attraction and relativistic effects are well-modeled, the perturbations caused by the non-gravitational forces are the most limiting factor in Precise Orbit Determination (POD). In this work we focused on very precise non-gravitational force modeling for medium Earth orbit satellites by applying the various models of solar radiation pressure including changes in solar irradiance and Earth/Moon shadow transition, Earth albedo and thermal radiation. For computing influence of aforementioned forces on spacecraft the analytical box-wing satellite model was applied. Smaller effects like antenna thrust or spacecraft thermal radiation were also included. In the process of orbit determination we compared the orbit with analytically computed NGP with the standard procedure in which CODE model is fitted for NGP recovery. We considered satellites from several systems and on different orbits and for different periods: when the satellite is all the time in full sunlight and when transits the umbra and penumbra regions.

Thickness dependence of the levitation performance of double-layer high-temperature superconductor bulks above a magnetic rail

NASA Astrophysics Data System (ADS)

Sun, R. X.; Zheng, J.; Liao, X. L.; Che, T.; Gou, Y. F.; He, D. B.; Deng, Z. G.

2014-10-01

A double-layer high-temperature superconductor (HTSC) arrangement was proposed and proved to be able to bring improvements to both levitation force and guidance force compared with present single-layer HTSC arrangement. To fully exploit the applied magnetic field by a magnetic rail, the thickness dependence of a double-layer HTSC arrangement on the levitation performance was further investigated in the paper. In this study, the lower-layer bulk was polished step by step to different thicknesses, and the upper-layer bulk with constant thickness was directly superimposed on the lower-layer one. The levitation force and the force relaxation of the double-layer HTSC arrangement were measured above a Halbach magnetic rail. Experimental result shows that a bigger levitation force and a less levitation force decay could be achieved by optimizing the thickness of the lower-layer bulk HTSC. This thickness optimization method could be applied together with former reported double-layer HTSC arrangement method with aligned growth sector boundaries pattern. This series of study on the optimized combination method do bring a significant improvement on the levitation performance of present HTS maglev systems.

Molecular Dynamics Simulations, Challenges and Opportunities: A Biologist's Prospective.

PubMed

Kumari, Indu; Sandhu, Padmani; Ahmed, Mushtaq; Akhter, Yusuf

2017-08-30

Molecular dynamics (MD) is a computational technique which is used to study biomolecules in virtual environment. Each of the constituent atoms represents a particle and hence the biomolecule embodies a multi-particle mechanical system analyzed within a simulation box during MD analysis. The potential energies of the atoms are explained by a mathematical expression consisting of different forces and space parameters. There are various software and force fields that have been developed for MD studies of the biomolecules. MD analysis has unravelled the various biological mechanisms (protein folding/unfolding, protein-small molecule interactions, protein-protein interactions, DNA/RNA-protein interactions, proteins embedded in membrane, lipid-lipid interactions, drug transport etc.) operating at the atomic and molecular levels. However, there are still some parameters including torsions in amino acids, carbohydrates (whose structure is extended and not well defined like that of proteins) and single stranded nucleic acids for which the force fields need further improvement, although there are several workers putting in constant efforts in these directions. The existing force fields are not efficient for studying the crowded environment inside the cells, since these interactions involve multiple factors in real time. Therefore, the improved force fields may provide the opportunities for their wider applications on the complex biosystems in diverse cellular conditions. In conclusion, the intervention of MD in the basic sciences involving interdisciplinary approaches will be helpful for understanding many fundamental biological and physiological processes at the molecular levels that may be further applied in various fields including biotechnology, fisheries, sustainable agriculture and biomedical research. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

High-pressure microhydraulic actuator

DOEpatents

Mosier, Bruce P [San Francisco, CA; Crocker, Robert W [Fremont, CA; Patel, Kamlesh D [Dublin, CA

2008-06-10

Electrokinetic ("EK") pumps convert electric to mechanical work when an electric field exerts a body force on ions in the Debye layer of a fluid in a packed bed, which then viscously drags the fluid. Porous silica and polymer monoliths (2.5-mm O.D., and 6-mm to 10-mm length) having a narrow pore size distribution have been developed that are capable of large pressure gradients (250-500 psi/mm) when large electric fields (1000-1500 V/cm) are applied. Flowrates up to 200 .mu.L/min and delivery pressures up to 1200 psi have been demonstrated. Forces up to 5 lb-force at 0.5 mm/s (12 mW) have been demonstrated with a battery-powered DC-DC converter. Hydraulic power of 17 mW (900 psi@ 180 uL/min) has been demonstrated with wall-powered high voltage supplies. The force and stroke delivered by an actuator utilizing an EK pump are shown to exceed the output of solenoids, stepper motors, and DC motors of similar size, despite the low thermodynamic efficiency.

Canadian Air Force Establishment Analysis: Creating a meta-methodology to address integrated questions of force structure, workforce planning and organizational design

DTIC Science & Technology

2010-01-28

Considerations – Position categories: • Hard • Generic or “ soft ” • Advanced Training – Language requirements – Need for • military, combat and/or field...Analysis (DGMPRA) Presentation to MORS WG Personnel and National Security: A Quantitative Approach 25-28 January 2010 Defence Research and...SUPPLEMENTARY NOTES Personnel and National Security: A Quantitative Approach (Unclass), 25-28 January 2010, Johns Hopkins University Applied Physics

Numerical Simulations of Plasma Based Flow Control Applications

NASA Technical Reports Server (NTRS)

Suzen, Y. B.; Huang, P. G.; Jacob, J. D.; Ashpis, D. E.

2005-01-01

A mathematical model was developed to simulate flow control applications using plasma actuators. The effects of the plasma actuators on the external flow are incorporated into Navier Stokes computations as a body force vector. In order to compute this body force vector, the model solves two additional equations: one for the electric field due to the applied AC voltage at the electrodes and the other for the charge density representing the ionized air. The model is calibrated against an experiment having plasma-driven flow in a quiescent environment and is then applied to simulate a low pressure turbine flow with large flow separation. The effects of the plasma actuator on control of flow separation are demonstrated numerically.

Graphene field-effect devices

NASA Astrophysics Data System (ADS)

Echtermeyer, T. J.; Lemme, M. C.; Bolten, J.; Baus, M.; Ramsteiner, M.; Kurz, H.

2007-09-01

In this article, graphene is investigated with respect to its electronic properties when introduced into field effect devices (FED). With the exception of manual graphene deposition, conventional top-down CMOS-compatible processes are applied. Few and monolayer graphene sheets are characterized by scanning electron microscopy, atomic force microscopy and Raman spectroscopy. The electrical properties of monolayer graphene sandwiched between two silicon dioxide films are studied. Carrier mobilities in graphene pseudo-MOS structures are compared to those obtained from double-gated Graphene-FEDs and silicon metal-oxide-semiconductor field-effect-transistors (MOSFETs).

Thermal to electricity conversion using thermal magnetic properties

DOEpatents

West, Phillip B [Idaho Falls, ID; Svoboda, John [Idaho Falls, ID

2010-04-27

A system for the generation of Electricity from Thermal Energy using the thermal magnetic properties of a Ferromagnetic, Electrically Conductive Material (FECM) in one or more Magnetic Fields. A FECM is exposed to one or more Magnetic Fields. Thermal Energy is applied to a portion of the FECM heating the FECM above its Curie Point. The FECM, now partially paramagnetic, moves under the force of the one or more Magnetic Fields. The movement of the FECM induces an electrical current through the FECM, generating Electricity.

Deformation of a helical filament by flow and electric or magnetic fields

NASA Astrophysics Data System (ADS)

Kim, Munju; Powers, Thomas R.

2005-02-01

Motivated by recent advances in the real-time imaging of fluorescent flagellar filaments in living bacteria [Turner, Ryu, and Berg, J. Bacteriol. 82, 2793 (2000)], we compute the deformation of a helical elastic filament due to flow and external magnetic or high-frequency electric fields. Two cases of deformation due to hydrodynamic drag are considered: the compression of a filament rotated by a stationary motor and the extension of a stationary filament due to flow along the helical axis. We use Kirchhoff rod theory for the filament, and work to linear order in the deflection. Hydrodynamic forces are described first by resistive-force theory, and then for comparison by the more accurate slender-body theory. For helices with a short pitch, the deflection in axial flow predicted by slender-body theory is significantly smaller than that computed with resistive-force theory. Therefore, our estimate of the bending stiffness of a flagellar filament is smaller than that of previous workers. In our calculation of the deformation of a polarizable helix in an external field, we show that the problem is equivalent to the classical case of a helix deformed by forces applied only at the ends.

Self-consistent perturbed equilibrium with neoclassical toroidal torque in tokamaks

DOE PAGES

Park, Jong-Kyu; Logan, Nikolas C.

2017-03-01

Toroidal torque is one of the most important consequences of non-axisymmetric fields in tokamaks. The well-known neoclassical toroidal viscosity (NTV) is due to the second-order toroidal force from anisotropic pressure tensor in the presence of these asymmetries. This work shows that the first-order toroidal force originating from the same anisotropic pressure tensor, despite having no flux surface average, can significantly modify the local perturbed force balance and thus must be included in perturbed equilibrium self-consistent with NTV. The force operator with an anisotropic pressure tensor is not self-adjoint when the NTV torque is finite and thus is solved directly formore » each component. This approach yields a modified, non-self-adjoint Euler-Lagrange equation that can be solved using a variety of common drift-kinetic models in generalized tokamak geometry. The resulting energy and torque integral provides a unique way to construct a torque response matrix, which contains all the information of self-consistent NTV torque profiles obtainable by applying non-axisymmetric fields to the plasma. This torque response matrix can then be used to systematically optimize non-axisymmetric field distributions for desired NTV profiles. Published by AIP Publishing.« less

Is the 2nd Law of Thermodynamics Conditioned? Separating Heat and Cold by a Magnetic Body Force and the Principle for a Non-Carnot Engine

NASA Astrophysics Data System (ADS)

Luo, Weili

2017-11-01

A new type of heat engine has been proposed in 2005 that defies fundamental thermodynamic law: A specifically designed magnetic body force can reverse heat flow from high temperature to low temperature. This mechanism can drive heat to higher temperature, rendering the possibility to re-use the ``waste heat''. As the result, the efficiency is much higher than that of the Carnot Engine. In a recent paper a realization of this proposed mechanism is reported: by using a specific configuration of temperature and magnetic field gradients, we observed that magnetic body force suppresses the gravito-thermal convective heat when the gradients of temperature and field are anti-parallel to each other. This driving force stops the heat flow of approaching to thermal equilibrium in the system, causing the temperature difference across the sample to increase with applied fields. In this work, I will discuss the driving mechanism for this phenomenon and its application in the proposed engine. This remarkable result suggests that the 2nd law of thermodynamics maybe conditioned and needs to be re-examined.

Fabrication and investigation on field-dependent properties of natural rubber based magneto-rheological elastomer isolator

NASA Astrophysics Data System (ADS)

Ain Abd Wahab, Nurul; Amri Mazlan, Saiful; Ubaidillah; Kamaruddin, Shamsul; Intan Nik Ismail, Nik; Choi, Seung-Bok; Haziq Rostam Sharif, Amirul

2016-10-01

This study presents a laminated magnetorheological elastomer (MRE) isolator which applies to vibration control in practice. The proposed isolator is fabricated with multilayer MRE sheets associated with the natural rubber (NR) as a matrix, and steel plates. The fabricated MRE isolator is then magnetically analysed to achieve high magnetic field intensity which can produce high damping force required for effective vibration control. Subsequently, the NR-based MRE specimen is tested to identify the field-dependent rheological properties such as storage modulus with 60 weight percentage of carbonyl iron particles. It is shown from this test that the MR effect of MRE specimen is quantified to reach up to 120% at 0.8 T. Following the design stage, the electromagnetic simulation using the finite element method magnetic (FEMM) software is carried out for analysing the magnetic flux distribution in the laminated MRE isolator. The laminated MRE isolator is then examined to a series of compression for static and dynamic test under various applied currents using the dynamic fatigue machine and biaxial dynamic testing machine. It is shown that the static compression force is increased by 14.5% under strong magnetic field compared to its off-state. Meanwhile, the dynamic compression test results show that the force increase of the laminated MRE isolator is up to 16% and 7% for low and high frequency respectively. From the results presented in this work, it is demonstrated that the full-scale concept of the MRE isolator can be one of the potential candidates for vibration control applications by tunability of the dynamic stiffness.

A Simplified Model for the Optical Force exerted on a Vertically Oriented Cilium by an Optical Trap and the Resulting Deformation

NASA Astrophysics Data System (ADS)

Lofgren, Ian; Resnick, Andrew

2014-03-01

Eukaryotic cilia are essentially whiplike structures extending from the cell body. Although their existence has been long known, their mechanical and functional properties are poorly understood. Optical traps are a non-contact method of applying a localized force to microscopic objects and an ideal tool for the study of ciliary mechanics. Starting with the discrete dipole approximation, a common means of calculating the optical force on an object that is not spherical, we tackle the problem of the optical force on a cilium. Treating the cilium as a homogeneous nonmagnetic cylinder and the electric field of the laser beam as linearly polarized results in a force applied in the direction of polarization. The force density in the polarization direction is derived from the force on an individual dipole within the cilium, which can be integrated over the volume of the cilium in order to find the total force. Utilizing Euler-Bernoulli beam theory, we integrate the force density over a cross section of the cilium and numerically solve a fourth order differential equation to obtain the final deformation of the cilium. This prediction will later be compared with experimental results to infer the mechanical stiffness of the cilium. Support from the National Institutes of Health, 1R15DK092716 is gratefully acknowledged.

Calculating forces on thin flat plates with incomplete vorticity-field data

NASA Astrophysics Data System (ADS)

Limacher, Eric; Morton, Chris; Wood, David

2016-11-01

Optical experimental techniques such as particle image velocimetry (PIV) permit detailed quantification of velocities in the wakes of bluff bodies. Patterns in the wake development are significant to force generation, but it is not trivial to quantitatively relate changes in the wake to changes in measured forces. Key difficulties in this regard include: (i) accurate quantification of velocities close to the body, and (ii) the effect of missing velocity or vorticity data in regions where optical access is obscured. In the present work, we consider force formulations based on the vorticity field, wherein mathematical manipulation eliminates the need for accurate near-body velocity information. Attention is restricted to nominally two dimensional problems, namely (i) a linearly accelerating flat plate, investigated using PIV in a water tunnel, and (ii) a pitching plate in a freestream flow, as investigated numerically by Wang & Eldredge (2013). The effect of missing vorticity data on the pressure side of the plate has a significant impact on the calculation of force for the pitching plate test case. Fortunately, if the vorticity on the pressure side remains confined to a thin boundary layer, simple corrections can be applied to recover a force estimate.

Large Electric Field–Enhanced–Hardness Effect in a SiO2 Film

PubMed Central

Revilla, Reynier I.; Li, Xiao-Jun; Yang, Yan-Lian; Wang, Chen

2014-01-01

Silicon dioxide films are extensively used in nano and micro–electromechanical systems. Here we studied the influence of an external electric field on the mechanical properties of a SiO2 film by using nanoindentation technique of atomic force microscopy (AFM) and friction force microscopy (FFM). A giant augmentation of the relative elastic modulus was observed by increasing the localized electric field. A slight decrease in friction coefficients was also clearly observed by using FFM with the increase of applied tip voltage. The reduction of the friction coefficients is consistent with the great enhancement of sample hardness by considering the indentation–induced deformation during the friction measurements. PMID:24681517

Mixtures of amino-acid based ionic liquids and water.

PubMed

Chaban, Vitaly V; Fileti, Eudes Eterno

2015-09-01

New ionic liquids (ILs) involving increasing numbers of organic and inorganic ions are continuously being reported. We recently developed a new force field; in the present work, we applied that force field to investigate the structural properties of a few novel imidazolium-based ILs in aqueous mixtures via molecular dynamics (MD) simulations. Using cluster analysis, radial distribution functions, and spatial distribution functions, we argue that organic ions (imidazolium, deprotonated alanine, deprotonated methionine, deprotonated tryptophan) are well dispersed in aqueous media, irrespective of the IL content. Aqueous dispersions exhibit desirable properties for chemical engineering. The ILs exist as ion pairs in relatively dilute aqueous mixtures (10 mol%), while more concentrated mixtures feature a certain amount of larger ionic aggregates.

A Sinusoidal Applied Electric Potential can Induce a Long-Range, Steady Electrophoretic Force

NASA Astrophysics Data System (ADS)

Amrei, Seyyed Hashemi; Ristenpart, William D.; Miller, Greg R.

2017-11-01

We use the standard electrokinetic model to numerically investigate the electric field in aqueous solutions between parallel electrodes under AC polarization. In contrast to prior work, we invoke no simplifying assumptions regarding the applied voltage, frequency, or mismatch in ionic mobilities. We find that the nonlinear electromigration terms significantly contribute to the overall shape of the electric potential vs. time, which at sufficiently high applied potentials develops multi-modal peaks. More surprisingly, we find that electrolytes with non-equal mobilities yield an electric field with non-zero time average at large distances from the electrodes. Our calculations indicate this long-range electric field suffices to levitate colloidal particles many microns away from the electrode against the gravitational field, in accord with experimental observations of such behavior (Woehl et al., PRX, 2015). Moreover, the results indicate that particles will aggregate laterally near electrodes in some electrolytes but separate in others, helping explain a longstanding but not well understood phenomenon.

Characterization of Nanoparticles by Capillary Electrophoresis and Trapping of Nanoparticles in Microfluidics Device

DTIC Science & Technology

2009-08-01

tubular mode driven by electroosmotic flow and the inherent electrophoretic mobility of the analytes under the influence of an applied electric field...could be due to unlabeled beads. Figure 3 (C and D) also shows electropherogram of a neutral electroosmotic flow (EOF) marker dye BODIPY and...internal turbulent mixing . The current microfabricated electromagnets cannot produce sufficient fields to trap the NPs against a large flow forces

Detailed numerical simulations of laser cooling processes

NASA Technical Reports Server (NTRS)

Ramirez-Serrano, J.; Kohel, J.; Thompson, R.; Yu, N.

2001-01-01

We developed a detailed semiclassical numerical code of the forces applied on atoms in optical and magnetic fields to increase the understanding of the different roles that light, atomic collisions, background pressure, and number of particles play in experiments with laser cooled and trapped atoms.

Liquid neon heat transfer as applied to a 30 tesla cryomagnet

NASA Technical Reports Server (NTRS)

Papell, S. S.; Hendricks, R. C.

1975-01-01

Since superconducting magnets cooled by liquid helium are limited to magnetic fields of about 18 teslas, the design of a 30 tesla cryomagnet necessitates forced convection liquid neon heat transfer in small coolant channels. As these channels are too small to handle the vapor flow if the coolant were to boil, the design philosophy calls for suppressing boiling by subjecting the fluid to high pressures. Forced convection heat transfer data are obtained by using a blowdown technique to force the fluid vertically through a resistance-heated instrumented tube. The data are obtained at inlet temperatures between 28 and 34 K and system pressures between 28 to 29 bars. Data correlation is limited to a very narrow range of test conditions, since the tests were designed to simulate the heat transfer characteristics in the coolant channels of the 30 tesla cryomagnet concerned. The results can therefore be applied directly to the design of the magnet system.-

Drain Current Modulation of a Single Drain MOSFET by Lorentz Force for Magnetic Sensing Application.

PubMed

Chatterjee, Prasenjit; Chow, Hwang-Cherng; Feng, Wu-Shiung

2016-08-30

This paper reports a detailed analysis of the drain current modulation of a single-drain normal-gate n channel metal-oxide semiconductor field effect transistor (n-MOSFET) under an on-chip magnetic field. A single-drain n-MOSFET has been fabricated and placed in the center of a square-shaped metal loop which generates the on-chip magnetic field. The proposed device designed is much smaller in size with respect to the metal loop, which ensures that the generated magnetic field is approximately uniform. The change of drain current and change of bulk current per micron device width has been measured. The result shows that the difference drain current is about 145 µA for the maximum applied magnetic field. Such changes occur from the applied Lorentz force to push out the carriers from the channel. Based on the drain current difference, the change in effective mobility has been detected up to 4.227%. Furthermore, a detailed investigation reveals that the device behavior is quite different in subthreshold and saturation region. A change of 50.24 µA bulk current has also been measured. Finally, the device has been verified for use as a magnetic sensor with sensitivity 4.084% (29.6 T(-1)), which is very effective as compared to other previously reported works for a single device.

Visco-Resistive MHD Modeling Benchmark of Forced Magnetic Reconnection

NASA Astrophysics Data System (ADS)

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

2016-10-01

The presence of externally-applied 3D magnetic fields can affect important phenomena in tokamaks, including mode locking, disruptions, and edge localized modes. External fields penetrate into the plasma and can lead to forced magnetic reconnection (FMR), and hence magnetic islands, on resonant surfaces if the local plasma rotation relative to the external field is slow. Preliminary visco-resistive MHD simulations of FMR in a slab geometry are consistent with theory. Specifically, linear simulations exhibit proper scaling of the penetrated field with resistivity, viscosity, and flow, and nonlinear simulations exhibit a bifurcation from a flow-screened to a field-penetrated, magnetic island state as the external field is increased, due to the 3D electromagnetic force. These results will be compared to simulations of FMR in a circular cross-section, cylindrical geometry by way of a benchmark between the NIMROD and M3D-C1 extended-MHD codes. Because neither this geometry nor the MHD model has the physics of poloidal flow damping, the theory of will be expanded to include poloidal flow effects. The resulting theory will be tested with linear and nonlinear simulations that vary the resistivity, viscosity, flow, and external field. Supported by OFES DoE Grants DE-FG02-92ER54139, DE-FG02-86ER53218, DE-AC02-09CH11466, and the SciDAC Center for Extended MHD Modeling.

Magnetic field effects on the vestibular system: calculation of the pressure on the cupula due to ionic current-induced Lorentz force

NASA Astrophysics Data System (ADS)

Antunes, A.; Glover, P. M.; Li, Y.; Mian, O. S.; Day, B. L.

2012-07-01

Large static magnetic fields may be employed in magnetic resonance imaging (MRI). At high magnetic field strengths (usually from about 3 T and above) it is possible for humans to perceive a number of effects. One such effect is mild vertigo. Recently, Roberts et al (2011 Current Biology 21 1635-40) proposed a Lorentz-force mechanism resulting from the ionic currents occurring naturally in the endolymph of the vestibular system. In the present work a more detailed calculation of the forces and resulting pressures in the vestibular system is carried out using a numerical model. Firstly, realistic 3D finite element conductivity and fluid maps of the utricle and a single semi-circular canal containing the current sources (dark cells) and sinks (hair cells) of the utricle and ampulla were constructed. Secondly, the electrical current densities in the fluid are calculated. Thirdly, the developed Lorentz force is used directly in the Navier-Stokes equation and the trans-cupular pressure is computed. Since the driving force field is relatively large in comparison with the advective acceleration, we demonstrate that it is possible to perform an approximation in the Navier-Stokes equations that reduces the problem to solving a simpler Poisson equation. This simplification allows rapid and easy calculation for many different directions of applied magnetic field. At 7 T a maximum cupula pressure difference of 1.6 mPa was calculated for the combined ampullar (0.7 µA) and utricular (3.31 µA) distributed current sources, assuming a hair-cell resting current of 100 pA per unit. These pressure values are up to an order of magnitude lower than those proposed by Roberts et al using a simplistic model and calculation, and are in good agreement with the estimated pressure values for nystagmus velocities in caloric experiments. This modeling work supports the hypothesis that the Lorentz force mechanism is a significant contributor to the perception of magnetic field induced vertigo.

Internal force corrections with machine learning for quantum mechanics/molecular mechanics simulations.

PubMed

Wu, Jingheng; Shen, Lin; Yang, Weitao

2017-10-28

Ab initio quantum mechanics/molecular mechanics (QM/MM) molecular dynamics simulation is a useful tool to calculate thermodynamic properties such as potential of mean force for chemical reactions but intensely time consuming. In this paper, we developed a new method using the internal force correction for low-level semiempirical QM/MM molecular dynamics samplings with a predefined reaction coordinate. As a correction term, the internal force was predicted with a machine learning scheme, which provides a sophisticated force field, and added to the atomic forces on the reaction coordinate related atoms at each integration step. We applied this method to two reactions in aqueous solution and reproduced potentials of mean force at the ab initio QM/MM level. The saving in computational cost is about 2 orders of magnitude. The present work reveals great potentials for machine learning in QM/MM simulations to study complex chemical processes.

Navier-Stokes predictions of pitch damping for axisymmetric shell using steady coning motion

NASA Technical Reports Server (NTRS)

Weinacht, Paul; Sturek, Walter B.; Schiff, Lewis B.

1991-01-01

Previous theoretical investigations have proposed that the side force and moment acting on a body of revolution in steady coning motion could be related to the pitch-damping force and moment. In the current research effort, this approach is applied to produce predictions of the pitch damping for axisymmetric shell. The flow fields about these projectiles undergoing steady coning motion are successfully computed using a parabolized Navier-Stokes computational approach which makes use of a rotating coordinate frame. The governing equations are modified to include the centrifugal and Coriolis force terms due to the rotating coordinate frame. From the computed flow field, the side moments due to coning motion, spinning motion, and combined spinning and coning motion are used to determine the pitch-damping coefficients. Computations are performed for two generic shell configurations, a secant-ogive-cylinder and a secant-ogive-cylinder-boattail.

Shaping metallic glasses by electromagnetic pulsing

PubMed Central

Kaltenboeck, Georg; Demetriou, Marios D.; Roberts, Scott; Johnson, William L.

2016-01-01

With damage tolerance rivalling advanced engineering alloys and thermoplastic forming capabilities analogous to conventional plastics, metallic glasses are emerging as a modern engineering material. Here, we take advantage of their unique electrical and rheological properties along with the classic Lorentz force concept to demonstrate that electromagnetic coupling of electric current and a magnetic field can thermoplastically shape a metallic glass without conventional heating sources or applied mechanical forces. Specifically, we identify a process window where application of an electric current pulse in the presence of a normally directed magnetic field can ohmically heat a metallic glass to a softened state, while simultaneously inducing a large enough magnetic body force to plastically shape it. The heating and shaping is performed on millisecond timescales, effectively bypassing crystallization producing fully amorphous-shaped parts. This electromagnetic forming approach lays the groundwork for a versatile, time- and energy-efficient manufacturing platform for ultrastrong metals. PMID:26853460

Lorentz force on sodium and chlorine ions in a salt water solution flow under a transverse magnetic field

NASA Astrophysics Data System (ADS)

DeLuca, R.

2009-05-01

It is shown that, by applying elementary concepts in electromagnetism and electrochemistry to a system consisting of salt water flowing in a thin rectangular pipe at an average velocity vA under the influence of a transverse magnetic field B0, an electromotive force generator can be conceived. In fact, the Lorentz force acting on the sodium and chlorine ions in a water solution gives rise to a so-called Faraday voltage across the two metal electrodes, positioned at the sides of the pipe. The effect is carried along the following chemical reactions at the electrodes: at the cathode, water is reduced (instead of sodium ions) and hydrogen gas is generated; at the anode, chlorine gas is produced. In college physics teaching, this interdisciplinary subject can be adopted to stress analogies and differences between the Hall voltage in conductors and the Faraday voltage in electrolyte solutions.

Thermally and electrically controllable multiple high harmonics generation by harmonically driven quasi-two-dimensional electron gas

NASA Astrophysics Data System (ADS)

Maglevanny, I. I.; Smolar, V. A.; Karyakina, T. I.

2018-06-01

In this paper, we consider the activation processes in nonlinear meta-stable system based on a lateral (quasi-two-dimensional) superlattice and study the dynamics of such a system externally driven by a harmonic force. The internal control parameters are the longitudinal applied electric field and the sample temperature. The spontaneous transverse electric field is considered as an order parameter. The forced violations of order parameter are considered as a response of a system to periodic driving. We investigate the cooperative effects of self-organization and high harmonic forcing from the viewpoint of catastrophe theory and show the possibility of generation of third and higher odd harmonics in output signal that lead to distortion of its wave front. A higher harmonics detection strategy is further proposed and explained in detail by exploring the influences of system parameters on the response output of the system that are discussed through numerical simulations.

Mass effects and internal space geometry in triatomic reaction dynamics

NASA Astrophysics Data System (ADS)

Yanao, Tomohiro; Koon, Wang S.; Marsden, Jerrold E.

2006-05-01

The effect of the distribution of mass in triatomic reaction dynamics is analyzed using the geometry of the associated internal space. Atomic masses are appropriately incorporated into internal coordinates as well as the associated non-Euclidean internal space metric tensor after a separation of the rotational degrees of freedom. Because of the non-Euclidean nature of the metric in the internal space, terms such as connection coefficients arise in the internal equations of motion, which act as velocity-dependent forces in a coordinate chart. By statistically averaging these terms, an effective force field is deduced, which accounts for the statistical tendency of geodesics in the internal space. This force field is shown to play a crucial role in determining mass-related branching ratios of isomerization and dissociation dynamics of a triatomic molecule. The methodology presented can be useful for qualitatively predicting branching ratios in general triatomic reactions, and may be applied to the study of isotope effects.

First-order reversal curve of the magnetostructural phase transition in FeTe

DOE PAGES

Frampton, M. K.; Crocker, J.; Gilbert, D. A.; ...

2017-06-05

We apply the first-order reversal curve (FORC) method, adapted from studies of ferromagnetic materials, to the magnetostructural phase transition of Fe 1+yTe. FORC measurements reveal two features in the hysteretic phase transition, even in samples where traditional temperature measurements display only a single transition. For Fe 1.13Te, the influence of magnetic field suggests that the main feature is primarily structural while a smaller, slightly higher-temperature transition is magnetic in origin. By contrast, Fe 1.03Te has a single transition which shows a uniform response to magnetic field, indicating a stronger coupling of the magnetic and structural phase transitions. We also introducemore » uniaxial stress, which spreads the distribution width without changing the underlying energy barrier of the transformation. Finally, the work shows how FORC can help disentangle the roles of the magnetic and structural phase transitions in FeTe.« less

Domain switching of fatigued ferroelectric thin films

NASA Astrophysics Data System (ADS)

Tak Lim, Yun; Yeog Son, Jong; Shin, Young-Han

2014-05-01

We investigate the domain wall speed of a ferroelectric PbZr0.48Ti0.52O3 (PZT) thin film using an atomic force microscope incorporated with a mercury-probe system to control the degree of electrical fatigue. The depolarization field in the PZT thin film decreases with increasing the degree of electrical fatigue. We find that the wide-range activation field previously reported in ferroelectric domains result from the change of the depolarization field caused by the electrical fatigue. Domain wall speed exhibits universal behavior to the effective electric field (defined by an applied electric field minus the depolarization field), regardless of the degree of the electrical fatigue.

Analytical and numerical investigations of bubble behavior in electric fields

NASA Astrophysics Data System (ADS)

Vorreiter, Janelle Orae

The behavior of gas bubbles in liquids is important in a wide range of applications. This study is motivated by a desire to understand the motion of bubbles in the absence of gravity, as in many aerospace applications. Phase-change devices, cryogenic tanks and life-support systems are some of the applications where bubbles exist in space environments. One of the main difficulties in employing devices with bubbles in zero gravity environments is the absence of a buoyancy force. The use of an electric field is found to be an effective means of replacing the buoyancy force, improving the control of bubbles in space environments. In this study, analytical and numerical investigations of bubble behavior under the influence of electric fields are performed. The problem is a difficult one in that the physics of the liquid and the electric field need to be considered simultaneously to model the dynamics of the bubble. Simplifications are required to reduce the problem to a tractable form. In this work, for the liquid and the electric field, assumptions are made which reduce the problem to one requiring only the solution of potentials in the domain of interest. Analytical models are developed using a perturbation analysis applicable for small deviations from a spherical shape. Numerical investigations are performed using a boundary integral code. A number of configurations are found to be successful in promoting bubble motion by varying properties of the electric fields. In one configuration, the natural frequencies of a bubble are excited using time-varying electric and pressure fields. The applied electric field is spatially uniform with frequencies corresponding to shape modes of the bubble. The resulting bubble velocity is related to the strength of the electric field as well as the characteristics of the applied fields. In another configuration, static non-uniform fields are used to encourage bubble motion. The resulting motion is related to the degree of non-uniformity of the applied field. Several geometries are investigated to study the relationship between electrode geometry and bubble behavior.

[The analytical setting of rotary speed of centrifuge rotor and centrifugation time in chemical, biochemical and microbiological practice].

PubMed

Zolotarev, K V

2012-08-01

The researchers happen to face with suspensions in their chemical, biochemical and microbiological practice. The suspensions are the disperse systems with solid dispersed phase and liquid dispersion medium and with dispersed phase particle size > 100 nm (10-7 m). Quite often the necessity occurs to separate solid particles from liquid. To use for this purpose the precipitation in gravitation field can make the process to progress too long. In this respect an effective mode is the precipitation in the field of centrifugal forces--the centrifugation. The rotary speed of centrifuge rotor and centrifugation time can be set analytically using regularities of general dynamics and hydrodynamics. To this effect, should be written and transformed the equation of First and Second Newton Laws for suspension particle being in the field of centrifugal forces and forces of resistance of liquid and vessel wall. The force of liquid resistance depends on particle motion condition in liquid. To determine the regimen the Archimedes and Reynolds numerical dimensionless criteria are to be applied. The article demonstrates the results of these transformations as analytical inverse ratio dependence of centrifugation time from rotary speed. The calculation of series of "rate-time" data permits to choose the optimal data pair on the assumption of centrifuge capacity and practical reasonability. The results of calculations are validated by actual experimental data hence the physical mathematical apparatus can be considered as effective one. The setting progress depends both from parameter (Reynolds criterion) and data series calculation. So, the most convenient way to apply this operation is the programming approach. The article proposes to use the program Microsoft Excel and VBA programming language for this purpose. The possibility to download the file from Internet to use it for fast solution is proposed.

Shear stress cleaning for surface departiculation

NASA Technical Reports Server (NTRS)

Musselman, R. P.; Yarbrough, T. W.

1986-01-01

A cleaning technique widely used by the nuclear utility industry for removal of radioactive surface contamination has proven effective at removing non-hazardous contaminant particles as small as 0.1 micrometer. The process employs a controlled high velocity liquid spray inside a vapor containment enclosure to remove particles from a surface. The viscous drag force generated by the cleaning fluid applies a shear stress greater than the adhesion force that holds small particles to a substrate. Fluid mechanics and field tests indicate general cleaning parameters.

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

PubMed

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

2012-02-01

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

Analysis of the electrolyte convection inside the concentration boundary layer during structured electrodeposition of copper in high magnetic gradient fields.

PubMed

König, Jörg; Tschulik, Kristina; Büttner, Lars; Uhlemann, Margitta; Czarske, Jürgen

2013-03-19

To experimentally reveal the correlation between electrodeposited structure and electrolyte convection induced inside the concentration boundary layer, a highly inhomogeneous magnetic field, generated by a magnetized Fe-wire, has been applied to an electrochemical system. The influence of Lorentz and magnetic field gradient force to the local transport phenomena of copper ions has been studied using a novel two-component laser Doppler velocity profile sensor. With this sensor, the electrolyte convection within 500 μm of a horizontally aligned cathode is presented. The electrode-normal two-component velocity profiles below the electrodeposited structure show that electrolyte convection is induced and directed toward the rim of the Fe-wire. The measured deposited structure directly correlates to the observed boundary layer flow. As the local concentration of Cu(2+) ions is enhanced due to the induced convection, maximum deposit thicknesses can be found at the rim of the Fe-wire. Furthermore, a complex boundary layer flow structure was determined, indicating that electrolyte convection of second order is induced. Moreover, the Lorentz force-driven convection rapidly vanishes, while the electrolyte convection induced by the magnetic field gradient force is preserved much longer. The progress for research is the first direct experimental proof of the electrolyte convection inside the concentration boundary layer that correlates to the deposited structure and reveals that the magnetic field gradient force is responsible for the observed structuring effect.

Magnetic Signals of High-Temperature Superconductor Bulk During the Levitation Force Measurement Process

NASA Astrophysics Data System (ADS)

Huang, Huan; Zheng, Jun; Qian, Nan; Che, Tong; Zheng, Botian; Jin, Liwei; Deng, Zigang

2017-05-01

In order to study the commonly neglected magnetic field information in the course of levitation force measurement process in a superconducting maglev system, a multipoint magnetic field measurement platform was employed to acquire magnetic signals of a bulk high-Tc superconductor on both the top and the bottom surface. Working conditions including field cooling (FC) and zero field cooling were investigated for these vertical down and up motions above a permanent magnet guideway performed on a HTS maglev measurement system. We have discussed the magnetic flux variation process based on the Bean model. A magnetic hysteresis effect similar to the levitation force hysteresis loop of the bulk superconductor was displayed and analyzed in this paper. What is more valuable, there exists some available magnetic flux on the top surface of the bulk superconductor, and the proportion is as high as 62.42% in the FC condition, which provides an experimental hint to design the superconductor bulk and the applied field for practical use in a more efficient way. In particular, this work reveals real-time magnetic flux variation of the bulk superconductor in the levitation application, which is the other important information in contrast to the macroscopic levitation and guidance force investigations in previous studies, and it enriches the existing research methods. The results are significant for understanding the magnetic characteristic of superconductors, and they can contribute to optimize the present HTS maglev system design.

Transport and selective chaining of bidisperse particles in a travelling wave potential.

PubMed

Tierno, Pietro; Straube, Arthur V

2016-05-01

We combine experiments, theory and numerical simulation to investigate the dynamics of a binary suspension of paramagnetic colloidal particles dispersed in water and transported above a stripe-patterned magnetic garnet film. The substrate generates a one-dimensional periodic energy landscape above its surface. The application of an elliptically polarized rotating magnetic field causes the landscape to translate, inducing direct transport of paramagnetic particles placed above the film. The ellipticity of the applied field can be used to control and tune the interparticle interactions, from net repulsive to net attractive. When considering particles of two distinct sizes, we find that, depending on their elevation above the surface of the magnetic substrate, the particles feel effectively different potentials, resulting in different mobilities. We exploit this feature to induce selective chaining for certain values of the applied field parameters. In particular, when driving two types of particles, we force only one type to condense into travelling parallel chains. These chains confine the movement of the other non-chaining particles within narrow colloidal channels. This phenomenon is explained by considering the balance of pairwise magnetic forces between the particles and their individual coupling with the travelling landscape.

Perspectives on the simulation of protein–surface interactions using empirical force field methods

PubMed Central

Latour, Robert A.

2014-01-01

Protein–surface interactions are of fundamental importance for a broad range of applications in the fields of biomaterials and biotechnology. Present experimental methods are limited in their ability to provide a comprehensive depiction of these interactions at the atomistic level. In contrast, empirical force field based simulation methods inherently provide the ability to predict and visualize protein–surface interactions with full atomistic detail. These methods, however, must be carefully developed, validated, and properly applied before confidence can be placed in results from the simulations. In this perspectives paper, I provide an overview of the critical aspects that I consider being of greatest importance for the development of these methods, with a focus on the research that my combined experimental and molecular simulation groups have conducted over the past decade to address these issues. These critical issues include the tuning of interfacial force field parameters to accurately represent the thermodynamics of interfacial behavior, adequate sampling of these types of complex molecular systems to generate results that can be comparable with experimental data, and the generation of experimental data that can be used for simulation results evaluation and validation. PMID:25028242

On-demand trajectory control of continuously generated airborne microdroplets

NASA Astrophysics Data System (ADS)

Ishiwata, Tomoki; Sakai, Keiji

2011-05-01

A technique to control the trajectory of in-flight microdroplets is described. The localized electric field generated by a needle electrode applies the dielectrophoretic force to the droplet to deflect its trajectory. Deflection by as much as 0.2 rad can be achieved, sufficient for industrial use. Moreover, highly selective control among droplets in a stream was demonstrated with the electric field modulations of 10 μs, which corresponds to the sorting speed of 105 s-1. In contrast to the conventional electrostatic control, the proposed technique is effective also for insulating liquids, allowing it to be applied to a wider range of materials.

Magnetically actuated tissue engineered scaffold: insights into mechanism of physical stimulation

NASA Astrophysics Data System (ADS)

Sapir-Lekhovitser, Yulia; Rotenberg, Menahem Y.; Jopp, Juergen; Friedman, Gary; Polyak, Boris; Cohen, Smadar

2016-02-01

Providing the right stimulatory conditions resulting in efficient tissue promoting microenvironment in vitro and in vivo is one of the ultimate goals in tissue development for regenerative medicine. It has been shown that in addition to molecular signals (e.g. growth factors) physical cues are also required for generation of functional cell constructs. These cues are particularly relevant to engineering of biological tissues, within which mechanical stress activates mechano-sensitive receptors, initiating biochemical pathways which lead to the production of functionally mature tissue. Uniform magnetic fields coupled with magnetizable nanoparticles embedded within three dimensional (3D) scaffold structures remotely create transient physical forces that can be transferrable to cells present in close proximity to the nanoparticles. This study investigated the hypothesis that magnetically responsive alginate scaffold can undergo reversible shape deformation due to alignment of scaffold's walls in a uniform magnetic field. Using custom made Helmholtz coil setup adapted to an Atomic Force Microscope we monitored changes in matrix dimensions in situ as a function of applied magnetic field, concentration of magnetic particles within the scaffold wall structure and rigidity of the matrix. Our results show that magnetically responsive scaffolds exposed to an externally applied time-varying uniform magnetic field undergo a reversible shape deformation. This indicates on possibility of generating bending/stretching forces that may exert a mechanical effect on cells due to alternating pattern of scaffold wall alignment and relaxation. We suggest that the matrix structure deformation is produced by immobilized magnetic nanoparticles within the matrix walls resulting in a collective alignment of scaffold walls upon magnetization. The estimated mechanical force that can be imparted on cells grown on the scaffold wall at experimental conditions is in the order of 1 pN, which correlates well with reported threshold to induce mechanotransduction effects on cellular level. This work is our next step in understanding of how to accurately create proper stimulatory microenvironment for promotion of cellular organization to form mature tissue engineered constructs.

Magnetically actuated tissue engineered scaffold: insights into mechanism of physical stimulation

PubMed Central

Sapir-Lekhovitser, Yulia; Rotenberg, Menahem Y.; Jopp, Juergen; Friedman, Gary; Polyak, Boris; Cohen, Smadar

2016-01-01

Providing the right stimulatory conditions resulting in efficient tissue promoting microenvironment in vitro and in vivo is one of the ultimate goals in tissue development for regenerative medicine. It has been shown that in addition to molecular signals (e.g. growth factors) physical cues are also required for generation of functional cell constructs. These cues are particularly relevant to engineering of biological tissues, within which mechanical stress activates mechano-sensitive receptors, initiating biochemical pathways which lead to the production of functionally mature tissue. Uniform magnetic fields coupled with magnetizable nanoparticles embedded within three dimensional (3D) scaffold structures remotely create transient physical forces that can be transferrable to cells present in close proximity to the nanoparticles. This study investigated the hypothesis that magnetically responsive alginate scaffold can undergo reversible shape deformation due to alignment of scaffold’s walls in a uniform magnetic field. Using custom made Helmholtz coil setup adapted to an Atomic Force Microscope we monitored changes in matrix dimensions in situ as a function of applied magnetic field, concentration of magnetic particles within the scaffold wall structure and rigidity of the matrix. Our results show that magnetically responsive scaffolds exposed to an externally applied time-varying uniform magnetic field undergo a reversible shape deformation. This indicates on possibility of generating bending/stretching forces that may exert a mechanical effect on cells due to alternating pattern of scaffold wall alignment and relaxation. We suggest that the matrix structure deformation is produced by immobilized magnetic nanoparticles within the matrix walls resulting in a collective alignment of scaffold walls upon magnetization. The estimated mechanical force that can be imparted on cells grown on the scaffold wall at experimental conditions is in the order of 1 pN, which correlates well with reported threshold to induce mechanotransduction effects on cellular level. This work is our next step in understanding of how to accurately create proper stimulatory microenvironment for promotion of cellular organization to form mature tissue engineered constructs. PMID:26790538

Field-Assisted Contact Line Motion in Thin Films.

PubMed

Ghosh, Udita Uday; DasGupta, Sunando

2018-04-25

The balance of intermolecular and surface forces plays a critical role in the transport phenomena near the contact line region of an extended meniscus in several technologically important processes. Externally applied fields can alter the equilibrium and stability of the meniscus with concomitant effects on its shape and spreading characteristics and may even lead to an oscillation. This feature article provides a detailed account of the present and past efforts in exploring the behavior of curved thin liquid films subjected to mild thermal perturbations, heat input, and electrical and magnetic fields for pure as well as colloidal suspensions, including the effects of particle charge and polarity. The shape-dependent intermolecular force field has been evaluated in situ by a nonobtrusive optical technique utilizing the interference phenomena and subsequent image processing. The critical role of disjoining pressure is identified along with the determination of the Hamaker constant. The spatial and temporal variations of the capillary forces are evaluated for the advancing and receding menisci. The Maxwell-stress-induced enhanced spreading during electrowetting, at relatively low voltages, and that due to the application of a magnetic field are discussed with respect to their distinctly different characteristics and application potentials. The use of the augmented Young-Laplace equation elicited additional insights into the fundamental physics for flow in ultrathin liquid films.

Impacts of Typhoon Megi (2010) on the South China Sea

DTIC Science & Technology

2014-06-01

investigations. To obtain realistic typhoon-strength atmospheric forcing, the EASNFS applied typhoon-resolving Weather Research and Forecasting ( WRF ) model wind...EASNFS applied typhoon-resolving Weather Research and Forecasting ( WRF ) model wind field blended with global weather forecast winds from the U.S. Navy...only 1C. Sequential SST snapshots, of which only a Figure 1. The EASNFS model domain with topography and an inset covered by WRF model. Typhoon Megi’s

A Non-Destructive and Direction-Insensitive Method Using a Strain Sensor and Two Single Axis Angle Sensors for Evaluating Corn Stalk Lodging Resistance.

PubMed

Guo, Qingqian; Chen, Ruipeng; Sun, Xiaoquan; Jiang, Min; Sun, Haifeng; Wang, Shun; Ma, Liuzheng; Yang, Yatao; Hu, Jiandong

2018-06-06

Corn stalk lodging is caused by different factors, including severe wind storms, stalk cannibalization, and stalk rots, and it leads to yield loss. Determining how to rapidly evaluate corn lodging resistance will assist scientists in the field of crop breeding to understand the contributing factors in managing the moisture, chemical fertilizer, and weather conditions for corn growing. This study proposes a non-destructive and direction-insensitive method, using a strain sensor and two single axis angle sensors to measure the corn stalk lodging resistance in the field. An equivalent force whose direction is perpendicular to the stalk is utilized to evaluate the corn lodging properties when a pull force is applied on the corn stalk. A novel measurement device is designed to obtain the equivalent force with the coefficient of variation (CV) of 4.85%. Five corn varieties with two different planting densities are arranged to conduct the experiment using the novel measurement device. The experimental results show that the maximum equivalent force could reach up to 44 N. A strong relationship with the square of the correlation coefficient of 0.88 was obtained between the maximum equivalent forces and the corn field’s stalk lodging rates. Moreover, the stalk lodging angles corresponding to the different pull forces over a measurement time of 20 s shift monotonically along the equivalent forces. Thus, the non-destructive and direction-insensitive method is an excellent tool for rapid analysis of stalk lodging resistance in corn, providing critical information on in-situ lodging dynamics.

Magnetic design and method of a superconducting magnet for muon g - 2/EDM precise measurements in a cylindrical volume with homogeneous magnetic field

NASA Astrophysics Data System (ADS)

Abe, M.; Murata, Y.; Iinuma, H.; Ogitsu, T.; Saito, N.; Sasaki, K.; Mibe, T.; Nakayama, H.

2018-05-01

A magnetic field design method of magneto-motive force (coil block (CB) and iron yoke) placements for g - 2/EDM measurements has been developed and a candidate placements were designed under superconducting limitations of current density 125 A/mm2 and maximum magnetic field on CBs less than 5.5 T. Placements of CBs and an iron yoke with poles were determined by tuning SVD (singular value decomposition) eigenmode strengths. The SVD was applied on a response matrix from magneto-motive forces to the magnetic fields in the muon storage region and two-dimensional (2D) placements of magneto-motive forces were designed by tuning the magnetic field eigenmode strengths obtained by the magnetic field. The tuning was performed iteratively. Magnetic field ripples in the azimuthal direction were minimized for the design. The candidate magnetic design had five CBs and an iron yoke with center iron poles. The magnet satisfied specifications of homogeneity (0.2 ppm peak-to-peak in 2D placements (the cylindrical coordinate of the radial position R and axial position Z) and less than 1.0 ppm ripples in the ring muon storage volume (0.318 m < R < 0 . 348 m and -0.05 < Z < 0.05 m) with 3.0 T strength and a slightly negative BR (magnetic field radial component) at Z > 0.0 m) for the spiral muon injection from the iron yoke at top.

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.

Recent advances on glass-forming systems driven far from equilibrium. Special issue marking the completion of the Research Unit FOR 1394 `Nonlinear response to probe vitrification'

NASA Astrophysics Data System (ADS)

Fuchs, Matthias

2017-08-01

The nature of the glass transition is one of the frontier questions in Statistical Physics and Materials Science. Highly cooperative structural processes develop in glass-forming melts exhibiting relaxational dynamics which is spread out over many decades in time. While considerable progress has been made in recent decades towards understanding dynamical slowing-down in quiescent systems, the interplay of glassy dynamics with external fields reveals a wealth of novel phenomena yet to be explored. This special issue focuses on recent results obtained by the Research Unit FOR 1394 `Nonlinear response to probe vitrification' which was funded by the German Science Foundation (DFG). In the projects of the research unit, strong external fields were used in order to gain insights into the complex structural and transport phenomena at the glass transition under far-from-equilibrium conditions. This aimed inter alia to test theories of the glass transition developed for quiescent systems by pushing them beyond their original regime. Combining experimental, simulational, and theoretical efforts, the eight projects within the FOR 1394 measured and determined aspects of the nonlinear response of supercooled metallic, polymeric, and silica melts, of colloidal dispersions, and of ionic liquids. Applied fields included electric and mechanic fields, and forced active probing (`micro-rheology'), where a single probe is forced through the glass-forming host. Nonlinear stress-strain and force-velocity relations as well as nonlinear dielectric susceptibilities and conductivities were observed. While the physical manipulation of melts and glasses is interesting in its own right, especially technologically, the investigations performed by the FOR 1394 suggest to use the response to strong homogeneous and inhomogeneous fields as technique to explore on the microscopic level the cooperative mechanisms in dense melts of strongly interacting constituents. Questions considered concern the (de-)coupling of different dynamical degrees of freedom in an external field, and the ensuing state diagrams. What forces are required to detach a localized probe particle from its initial environment in a supercooled liquid, in a glassy or granular system? Do metallic and colloidal glasses yield homogeneously or by strain localization under differently applied stresses? Which mechanisms determine field-dependent susceptibilities in dielectric and ionically conducting glass formers?

Active Control of Sound Radiation due to Subsonic Wave Scattering from Discontinuities on Thin Elastic Beams.

NASA Astrophysics Data System (ADS)

Guigou, Catherine Renee J.

1992-01-01

Much progress has been made in recent years in active control of sound radiation from vibrating structures. Reduction of the far-field acoustic radiation can be obtained by directly modifying the response of the structure by applying structural inputs rather than by adding acoustic sources. Discontinuities, which are present in many structures are often important in terms of sound radiation due to wave scattering behavior at their location. In this thesis, an edge or boundary type discontinuity (clamped edge) and a point discontinuity (blocking mass) are analytically studied in terms of sound radiation. When subsonic vibrational waves impinge on these discontinuities, large scattered sound levels are radiated. Active control is then achieved by applying either control forces, which approximate shakers, or pairs of control moments, which approximate piezoelectric actuators, near the discontinuity. Active control of sound radiation from a simply-supported beam is also examined. For a single frequency, the flexural response of the beam subject to an incident wave or an input force (disturbance) and to control forces or control moments is expressed in terms of waves of both propagating and near-field types. The far-field radiated pressure is then evaluated in terms of the structural response, using Rayleigh's formula or a stationary phase approach, depending upon the application. The control force and control moment magnitudes are determined by optimizing a quadratic cost function, which is directly related to the control performance. On determining the optimal control complex amplitudes, these can be resubstituted in the constitutive equations for the system under study and the minimized radiated fields can be evaluated. High attenuation in radiated sound power and radiated acoustic pressure is found to be possible when one or two active control actuators are located near the discontinuity, as is shown to be mostly associated with local changes in beam response near the discontinuity. The effect of the control actuators on the far-field radiated pressure, the wavenumber spectrum, the flexural displacement and the near-field time averaged intensity and pressure distributions are studied in order to further understand the control mechanisms. The influence of the near-field structural waves is investigated as well. Some experimental results are presented for comparison.

A force field for 3,3,3-fluoro-1-propenes, including HFO-1234yf.

PubMed

Raabe, Gabriele; Maginn, Edward J

2010-08-12

The European Union (EU) legislation 2006/40/EC bans from January 2011 the cooperative marketing of new car types that use refrigerants in their heating, ventilation, and air conditioning (HVAC) systems with global warming potentials (GWP) higher than 150. Thus, the phase-out of the presently used tetrafluoroethane refrigerant R134a necessitates the adoption of alternative refrigerants. Fluoropropenes such as 2,3,3,3-tetrafluoro-1-propene (HFO-1234yf) are currently regarded as promising low GWP refrigerants, but the lack of experimental data on their thermophysical properties hampers independent studies on their performance in HVAC systems or in other technical applications. In principle, molecular modeling can be used to predict the relevant properties of refrigerants, but adequate intermolecular potential functions ("force fields") are lacking for fluoropropenes. Thus, we developed a transferable force field for fluoropropenes composed of CF(3)-, -CF=, -CH=, CF(2)=, and CH(2)= groups and applied the force field to study 3,3,3 trifluoro-1-propene (HFO-1243zf), 2,3,3,3-tetrafluoro-1-propene (HFO-1234yf), and hexafluoro-1-propene (HFO-1216). We performed Gibbs ensemble simulations on these three fluoropropenes to compute the vapor pressure, saturated densities, and heats of vaporization. In addition, molecular dynamics simulations were conducted to provide predictions for the density, thermal expansivity, isobaric heat capacity, and transport properties of liquid HFO-1234yf in the temperature range from 263.15 to 310 K and pressures up to 2 MPa. Agreement between simulation results and experimental data and/or correlations (when available) was good, thereby validating the predictive ability of the force field.

Bottled SAFT: A Web App Providing SAFT-γ Mie Force Field Parameters for Thousands of Molecular Fluids.

PubMed

Ervik, Åsmund; Mejía, Andrés; Müller, Erich A

2016-09-26

Coarse-grained molecular simulation has become a popular tool for modeling simple and complex fluids alike. The defining aspects of a coarse grained model are the force field parameters, which must be determined for each particular fluid. Because the number of molecular fluids of interest in nature and in engineering processes is immense, constructing force field parameter tables by individually fitting to experimental data is a futile task. A step toward solving this challenge was taken recently by Mejía et al., who proposed a correlation that provides SAFT-γ Mie force field parameters for a fluid provided one knows the critical temperature, the acentric factor and a liquid density, all relatively accessible properties. Building on this, we have applied the correlation to more than 6000 fluids, and constructed a web application, called "Bottled SAFT", which makes this data set easily searchable by CAS number, name or chemical formula. Alternatively, the application allows the user to calculate parameters for components not present in the database. Once the intermolecular potential has been found through Bottled SAFT, code snippets are provided for simulating the desired substance using the "raaSAFT" framework, which leverages established molecular dynamics codes to run the simulations. The code underlying the web application is written in Python using the Flask microframework; this allows us to provide a modern high-performance web app while also making use of the scientific libraries available in Python. Bottled SAFT aims at taking the complexity out of obtaining force field parameters for a wide range of molecular fluids, and facilitates setting up and running coarse-grained molecular simulations. The web application is freely available at http://www.bottledsaft.org . The underlying source code is available on Bitbucket under a permissive license.

Investigation of base pairs containing oxidized guanine using ab initio method and ABEEMσπ polarizable force field.

PubMed

Liu, Cui; Wang, Yang; Zhao, Dongxia; Gong, Lidong; Yang, Zhongzhi

2014-02-01

The integrity of the genetic information is constantly threatened by oxidizing agents. Oxidized guanines have all been linked to different types of cancers. Theoretical approaches supplement the assorted experimental techniques, and bring new sight and opportunities to investigate the underlying microscopic mechanics. Unfortunately, there is no specific force field to DNA system including oxidized guanines. Taking high level ab initio calculations as benchmark, we developed the ABEEMσπ fluctuating charge force field, which uses multiple fluctuating charges per atom. And it was applied to study the energies, structures and mutations of base pairs containing oxidized guanines. The geometries were obtained in reference to other studies or using B3LYP/6-31+G* level optimization, which is more rational and timesaving among 24 quantum mechanical methods selected and tested by this work. The energies were determined at MP2/aug-cc-pVDZ level with BSSE corrections. Results show that the constructed potential function can accurately simulate the change of H-bond and the buckled angle formed by two base planes induced by oxidized guanine, and it provides reliable information of hydrogen bonding, stacking interaction and the mutation processes. The performance of ABEEMσπ polarizable force field in predicting the bond lengths, bond angles, dipole moments etc. is generally better than those of the common force fields. And the accuracy of ABEEMσπ PFF is close to that of the MP2 method. This shows that ABEEMσπ model is a reliable choice for further research of dynamics behavior of DNA fragment including oxidized guanine. Copyright © 2013 Elsevier Inc. All rights reserved.

Force-time profile differences in the delivery of simulated toggle-recoil spinal manipulation by students, instructors, and field doctors of chiropractic.

PubMed

DeVocht, James W; Owens, Edward F; Gudavalli, Maruti Ram; Strazewski, John; Bhogal, Ramneek; Xia, Ting

2013-01-01

The objectives of this study were to examine the force-time profiles of toggle recoil using an instrumented simulator to objectively measure and evaluate students' skill to determine if they become quicker and use less force during the course of their training and to compare them to course instructors and to field doctors of chiropractic (DCs) who use this specific technique in their practices. A load cell was placed within a toggle recoil training device. The preload, speed, and magnitude of the toggle recoil thrusts were measured from 60 students, 2 instructors, and 77 DCs (ie, who use the toggle recoil technique in their regular practice). Student data were collected 3 times during their toggle course (after first exposure, at midterm, and at course end.) Thrusts showed a dual-peak force-time profile not previously described in other forms of spinal manipulation. There was a wide range of values for each quantity measured within and between all 3 subject groups. The median peak load for students decreased over the course of their class, but they became slower. Field doctors were faster than students or instructors and delivered higher peak loads. Toggle recoil thrusts into a dropping mechanism varied based upon subject and amount of time practicing the task. As students progressed through the class, speed reduced as they increased control to lower peak loads. In the group studies, field DCs applied higher forces and were faster than both students and instructors. There appears to be a unique 2-peak feature of the force-time plot that is unique to toggle recoil manipulation with a drop mechanism. Copyright © 2013 National University of Health Sciences. Published by Mosby, Inc. All rights reserved.

Controlled nanopatterning of a polymerized ionic liquid in a strong electric field

DOE PAGES

Bocharova, Vera; Agapov, Alexander L.; Tselev, Alexander; ...

2014-12-17

Nanolithography has become a driving force in advancements of the modern day's electronics, allowing for miniaturization of devices and a steady increase of the calculation, power, and storage densities. Among various nanofabrication approaches, scanning probe techniques, including atomic force microscopy (AFM), are versatile tools for creating nanoscale patterns utilizing a range of physical stimuli such as force, heat, or electric field confined to the nanoscale. In this study, the potential of using the electric field localized at the apex of an AFM tip to induce and control changes in the mechanical properties of an ion containing polymer—a polymerized ionic liquidmore » (PolyIL)—on a very localized scale is explored. In particular, it is demonstrated that by means of AFM, one can form topographical features on the surface of PolyIL-based thin films with a significantly lower electric potential and power consumption as compared to nonconductive polymer materials. Lastly,, by tuning the applied voltage and ambient air humidity, control over dimensions of the formed structures is reproducibly achieved.« less

Characteristics on electodynamic suspension simulator with HTS levitation magnet

NASA Astrophysics Data System (ADS)

Lee, J.; Bae, D. K.; Sim, K.; Chung, Y. D.; Lee, Y.-S.

2009-10-01

High- Tc superconducting (HTSC) electrodynamic suspension (EDS) system basically consists of the HTSC levitation magnet and the ground conductor. The levitation force of EDS system is forms by the interaction between the moving magnetic field produced by the onboard levitation magnet and the induced magnetic field produced by eddy current in the ground conductor. This paper deals with the characteristics of the EDS simulators with high- Tc superconducting (HTS) levitation magnet. Two EDS simulator systems, rotating type EDS simulator and static type EDS simulator, were studied in this paper. The rotating type EDS simulator consists of a HTS levitation magnet and a 1.5 m diameter rotating ground conductor, a motor, the supporting structure and force measuring devices. In the static type EDS simulator, instead of moving magnetic field, AC current was applied to the fixed HTS levitation magnet to induce the eddy current. The static type EDS simulator consists of a HTS levitation magnet, a ground conductor, force measuring devices and supporting structure. The double-pancake type HTSC levitation magnet was designed, manufactured and tested in the EDS simulator.

Controllable deformation of salt water-filled carbon nanotubes using an electric field with application to molecular sieving

NASA Astrophysics Data System (ADS)

Ye, Hongfei; Zheng, Yonggang; Zhang, Zhongqiang; Zhang, Hongwu; Chen, Zhen

2016-08-01

Precisely controlling the deformation of carbon nanotubes (CNTs) has practical application in the development of nanoscale functional devices, although it is a challenging task. Here, we propose a novel method to guide the deformation of CNTs through filling them with salt water and applying an electric field. With the electric field along the axial direction, the height of CNTs is enlarged by the axial electric force due to the internal ions and polar water molecules. Under an electric field with two mutually orthogonal components, the transverse electric force could further induce the bending deformation of CNTs. Based on the classical rod and beam theories, two mechanical models are constructed to verify and quantitatively describe the relationships between the tension and bending deformations of CNTs and the electric field intensity. Moreover, by means of the electric field-driven tension behavior of CNTs, we design a stretchable molecular sieve to control the flow rate of mixed gas and collect a single high-purity gas. The present work opens up new avenues in the design and fabrication of nanoscale controlling units.

Biomechanics principle of elbow joint for transhumeral prostheses: comparison of normal hand, body-powered, myoelectric & air splint prostheses.

PubMed

Abd Razak, Nasrul Anuar; Abu Osman, Noor Azuan; Gholizadeh, Hossein; Ali, Sadeeq

2014-09-10

Understanding of kinematics force applied at the elbow is important in many fields, including biomechanics, biomedical engineering and rehabilitation. This paper provides a comparison of a mathematical model of elbow joint using three different types of prosthetics for transhumeral user, and characterizes the forces required to overcome the passive mechanical of the prosthetics at the residual limb. The study modeled the elbow as a universal joint with intersecting axes of x-axis and y-axis in a plain of upper arm and lower arm. The equations of force applied, torque, weight and length of different type of prosthetics and the anthropometry of prosthetics hand are discussed in this study. The study also compares the force, torque and pressure while using all three types of prosthetics with the normal hand. The result was measured from the elbow kinematics of seven amputees, using three different types of prosthetics. The F-Scan sensor used in the study is to determine the pressure applied at the residual limb while wearing different type of prostheses. These technological advances in assessment the biomechanics of an elbow joint for three different type of prosthetics with the normal hand bring the new information for the amputees and prosthetist to choose the most suitable device to be worn daily.

Chatter active control in a lathe machine using magnetostrictive actuator

NASA Astrophysics Data System (ADS)

Nosouhi, R.; Behbahani, S.

2011-01-01

This paper analyzes the chatter phenomena in lathe machines. Chatter is one of the main causes of inaccuracy, reduction of life cycle of the machine and tool wear in machine tools. This phenomenon limits the depth of cut as a function of the cutting speed, which consequently reduces the material removal rate and machining efficiency. Chatter control is therefore important since it increases the stability region in machining and increases the critical depth of cut in machining case. To control the chatter in lathe machines, a magnetostrictive actuator is used. The materials with magnetostriction properties are kind of smart materials of which their length changes as a result of applying an exterior magnetic field, which make them suitable for control applications. It is assumed that the actuator applies the proper force exactly at the point where the machining force is applied on the tool. In this paper the chatter stability lobes is excelled as a result of applying a PID controller on the magnetostrictive actuator equipped-tool in turning.

Force Sensing Resistor (FSR): a brief overview and the low-cost sensor for active compliance control

NASA Astrophysics Data System (ADS)

Sadun, A. S.; Jalani, J.; Sukor, J. A.

2016-07-01

Force Sensing Resistors (FSR) sensors are devices that allow measuring static and dynamic forces applied to a contact surface. Their range of responses is basically depending on the variation of its electric resistance. In general, Flexiforce and Interlink are two common types of FSR sensors that are available, cheap and easily found in the market. Studies have shown that the FSR sensors are usually applied for robotic grippers and for biomechanical fields. This paper provides a brief overview of the application of the FSR sensors. Subsequently, two different set of experiments are carried out to test the effectiveness of the Flexiforce and Interlink sensors. First, the hardness detector system (Case Study A) and second, the force-position control system (Case Study B). The hardware used for the experiment was developed from low-cost materials. The results revealed that both FSR sensors are sufficient and reliable to provide a good sensing modality particularly for measuring force. Apart from the low-cost sensors, essentially, the FSR sensors are very useful devices that able to provide a good active compliance control, particularly for the grasping robotic hand.

Asking the Right Questions: Techniques for Collaboration and School Change. 2nd Edition.

ERIC Educational Resources Information Center

Holcomb, Edie L.

This work provides school change leaders with tools, techniques, tips, examples, illustrations, and stories about promoting school change. Tools provided include histograms, surveys, run charts, weighted voting, force-field analysis, decision matrices, and many others. Chapter 1, "Introduction," applies a matrix for asking questions…

Effect of Position- and Velocity-Dependent Forces on Reaching Movements at Different Speeds

PubMed Central

Summa, Susanna; Casadio, Maura; Sanguineti, Vittorio

2016-01-01

The speed of voluntary movements is determined by the conflicting needs of maximizing accuracy and minimizing mechanical effort. Dynamic perturbations, e.g., force fields, may be used to manipulate movements in order to investigate these mechanisms. Here, we focus on how the presence of position- and velocity-dependent force fields affects the relation between speed and accuracy during hand reaching movements. Participants were instructed to perform reaching movements under visual control in two directions, corresponding to either low or high arm inertia. The subjects were required to maintain four different movement durations (very slow, slow, fast, very fast). The experimental protocol included three phases: (i) familiarization—the robot generated no force; (ii) force field—the robot generated a force; and (iii) after-effect—again, no force. Participants were randomly assigned to four groups, depending on the type of force that was applied during the “force field” phase. The robot was programmed to generate position-dependent forces—with positive (K+) or negative stiffness (K−)—or velocity-dependent forces, with either positive (B+) or negative viscosity (B−). We focused on path curvature, smoothness, and endpoint error; in the latter we distinguished between bias and variability components. Movements in the high-inertia direction are smoother and less curved; smoothness also increases with movement speed. Endpoint bias and variability are greater in, respectively, the high and low inertia directions. A robust dependence on movement speed was only observed in the longitudinal components of both bias and variability. The strongest and more consistent effects of perturbation were observed with negative viscosity (B−), which resulted in increased variability during force field adaptation and in a reduction of the endpoint bias, which was retained in the subsequent after-effect phase. These findings confirm that training with negative viscosity produces lasting effects in movement accuracy at all speeds. PMID:27965559

Design of a magnetorheological automotive shock absorber

NASA Astrophysics Data System (ADS)

Lindler, Jason E.; Dimock, Glen A.; Wereley, Norman M.

2000-06-01

Double adjustable shock absorbers allow for independent adjustment of the yield force and post-yield damping in the force versus velocity response. To emulate the performance of a conventional double adjustable shock absorber, a magnetorheological (MR) automotive shock absorber was designed and fabricated at the University of Maryland. Located in the piston head, an applied magnetic field between the core and flux return increases the force required for a given piston rod velocity. Between the core and flux return, two different shaped gaps meet the controllable performance requirements of a double adjustable shock. A uniform gap between the core and the flux return primarily adjusts the yield force of the shock absorber, while a non-uniform gap allows for control of the post-yield damping. Force measurements from sinusoidal displacement cycles, recorded on a mechanical damper dynamometer, validate the performance of uniform and non- uniform gaps for adjustment of the yield force and post-yield damping, respectively.

Electrophoresis of small particles and fluid globules in weak electrolytes

NASA Technical Reports Server (NTRS)

Baygents, J. C.; Saville, D. A.

1991-01-01

An examination is conducted of the influence of partial ionization on the electrophoresis of small particles and fluid globules, with a view to the nature of conditions under which dissociation-association (D-A) alters electrokinetics. It is found that, since D-A processes are important in cases where double-layer polarization and relaxation would otherwise prevail, the predicted effect on electrophoretic mobility is greatest for the drops and bubbles whose surfaces are fluid and convection within the interface is significant. While the computation scheme used applies only to situations where forcing-field magnitude is small, the results obtained indicate that D-A processes involving ionogenic solutes may be significant in apolar liquids where electrokinetic phenomena are driven by strong forcing fields.

Inertia coupling analysis of a self-decoupled wheel force transducer under multi-axis acceleration fields.

PubMed

Feng, Lihang; Lin, Guoyu; Zhang, Weigong; Dai, Dong

2015-01-01

Wheel force transducer (WFT), which measures the three-axis forces and three-axis torques applied to the wheel, is an important instrument in the vehicle testing field and has been extremely promoted by researchers with great interests. The transducer, however, is typically mounted on the wheel of a moving vehicle, especially on a high speed car, when abruptly accelerating or braking, the mass/inertia of the transducer/wheel itself will have an extra effect on the sensor response so that the inertia/mass loads will also be detected and coupled into the signal outputs. The effect which is considered to be inertia coupling problem will decrease the sensor accuracy. In this paper, the inertia coupling of a universal WFT under multi-axis accelerations is investigated. According to the self-decoupling approach of the WFT, inertia load distribution is solved based on the principle of equivalent mass and rotary inertia, thus then inertia impact can be identified with the theoretical derivation. The verification is achieved by FEM simulation and experimental tests. Results show that strains in simulation agree well with the theoretical derivation. The relationship between the applied acceleration and inertia load for both wheel force and moment is the approximate linear, respectively. All the relative errors are less than 5% which are within acceptable and the inertia loads have the maximum impact on the signal output about 1.5% in the measurement range.

Inertia Coupling Analysis of a Self-Decoupled Wheel Force Transducer under Multi-Axis Acceleration Fields

PubMed Central

Feng, Lihang; Lin, Guoyu; Zhang, Weigong; Dai, Dong

2015-01-01

Wheel force transducer (WFT), which measures the three-axis forces and three-axis torques applied to the wheel, is an important instrument in the vehicle testing field and has been extremely promoted by researchers with great interests. The transducer, however, is typically mounted on the wheel of a moving vehicle, especially on a high speed car, when abruptly accelerating or braking, the mass/inertia of the transducer/wheel itself will have an extra effect on the sensor response so that the inertia/mass loads will also be detected and coupled into the signal outputs. The effect which is considered to be inertia coupling problem will decrease the sensor accuracy. In this paper, the inertia coupling of a universal WFT under multi-axis accelerations is investigated. According to the self-decoupling approach of the WFT, inertia load distribution is solved based on the principle of equivalent mass and rotary inertia, thus then inertia impact can be identified with the theoretical derivation. The verification is achieved by FEM simulation and experimental tests. Results show that strains in simulation agree well with the theoretical derivation. The relationship between the applied acceleration and inertia load for both wheel force and moment is the approximate linear, respectively. All the relative errors are less than 5% which are within acceptable and the inertia loads have the maximum impact on the signal output about 1.5% in the measurement range. PMID:25723492

Anisotropy of MHD Turbulence at Low Magnetic Reynolds Number

NASA Technical Reports Server (NTRS)

Zikanov, O.; Vorobev, A.; Thess, A.; Davidson, P. A.; Knaepen, B.

2004-01-01

Turbulent fluctuations in MHD flows are known to become dimensionally anisotropic under the action of a sufficiently strong magnetic field. We consider the technologically relevant case of low magnetic Reynolds number and apply the method of DNS of forced flow in a periodic box to generate velocity fields. The analysis based on different anisotropy characteristics shows that the dimensional anisotropy is virtually scale-independent. We also find that, except for the case of very strong magnetic field, the flow is componentally isotropic. Its kinetic energy is practically uniformly distributed among the velocity components.

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

PubMed Central

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

2014-01-01

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

Mechanism analysis of Magnetohydrodynamic heat shield system and optimization of externally applied magnetic field

NASA Astrophysics Data System (ADS)

Li, Kai; Liu, Jun; Liu, Weiqiang

2017-04-01

As a novel thermal protection technique for hypersonic vehicles, Magnetohydrodynamic (MHD) heat shield system has been proved to be of great intrinsic value in the hypersonic field. In order to analyze the thermal protection mechanisms of such a system, a physical model is constructed for analyzing the effect of the Lorentz force components in the counter and normal directions. With a series of numerical simulations, the dominating Lorentz force components are analyzed for the MHD heat flux mitigation in different regions of a typical reentry vehicle. Then, a novel magnetic field with variable included angle between magnetic induction line and streamline is designed, which significantly improves the performance of MHD thermal protection in the stagnation and shoulder areas. After that, the relationships between MHD shock control and MHD thermal protection are investigated, based on which the magnetic field above is secondarily optimized obtaining better performances of both shock control and thermal protection. Results show that the MHD thermal protection is mainly determined by the Lorentz force's effect on the boundary layer. From the stagnation to the shoulder region, the flow deceleration effect of the counter-flow component is weakened while the flow deflection effect of the normal component is enhanced. Moreover, there is no obviously positive correlation between the MHD shock control and thermal protection. But once a good Lorentz force's effect on the boundary layer is guaranteed, the thermal protection performance can be further improved with an enlarged shock stand-off distance by strengthening the counter-flow Lorentz force right after shock.

Measurement of time-varying displacement fields in cell culture for traction force optical coherence microscopy (Conference Presentation)

NASA Astrophysics Data System (ADS)

Mulligan, Jeffrey A.; Adie, Steven G.

2017-02-01

Mechanobiology is an emerging field which seeks to link mechanical forces and properties to the behaviors of cells and tissues in cancer, stem cell growth, and other processes. Traction force microscopy (TFM) is an imaging technique that enables the study of traction forces exerted by cells on their environment to migrate as well as sense and manipulate their surroundings. To date, TFM research has been performed using incoherent imaging modalities and, until recently, has been largely confined to the study of cell-induced tractions within two-dimensions using highly artificial and controlled environments. As the field of mechanobiology advances, and demand grows for research in physiologically relevant 3D culture and in vivo models, TFM will require imaging modalities that support such settings. Optical coherence microscopy (OCM) is an interferometric imaging modality which enables 3D cellular resolution imaging in highly scattering environments. Moreover, optical coherence elastography (OCE) enables the measurement of tissue mechanical properties. OCE relies on the principle of measuring material deformations in response to artificially applied stress. By extension, similar techniques can enable the measurement of cell-induced deformations, imaged with OCM. We propose traction force optical coherence microscopy (TF-OCM) as a natural extension and partner to existing OCM and OCE methods. We report the first use of OCM data and digital image correlation to track temporally varying displacement fields exhibited within a 3D culture setting. These results mark the first steps toward the realization of TF-OCM in 2D and 3D settings, bolstering OCM as a platform for advancing research in mechanobiology.

Dielectrophoretic levitation in the presence of shear flow: implications for colloidal fouling of filtration membranes.

PubMed

Molla, Shahnawaz; Bhattacharjee, Subir

2007-10-09

The ability of dielectrophoretic (DEP) forces created using a microelectrode array to levitate particles in a colloidal suspension is studied experimentally and theoretically. The experimental system employs microfabricated electrode arrays on a glass substrate to apply repulsive DEP forces on polystyrene latex particles suspended in an aqueous medium. A numerical model based on the convection-diffusion-migration equation is presented to calculate the concentration distribution of colloidal particles in shear flow under the influence of a repulsive DEP force field. The results obtained from the numerical simulations are compared against trajectory analysis results and experimental data. The results indicate that by incorporating ac electric field-induced DEP forces in a shear flow, particle accumulation and deposition on the flow channel surfaces can be significantly reduced or even completely averted. The mathematical model is then used to indicate how the deposition behavior is modified in the presence of a permeable substrate, representative of tangential flow membrane filtration operations. The results indicate that the repulsive dielectrophoretic (DEP) forces imparted to the particles suspended in the feed can be employed to mitigate membrane fouling in a cross-flow filtration process.

Force law in material media, hidden momentum and quantum phases

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

Kholmetskii, Alexander L., E-mail: alkholmetskii@gmail.com; Missevitch, Oleg V.; Yarman, T.

We address to the force law in classical electrodynamics of material media, paying attention on the force term due to time variation of hidden momentum of magnetic dipoles. We highlight that the emergence of this force component is required by the general theorem, deriving zero total momentum for any static configuration of charges/currents. At the same time, we disclose the impossibility to add this force term covariantly to the Lorentz force law in material media. We further show that the adoption of the Einstein–Laub force law does not resolve the issue, because for a small electric/magnetic dipole, the density ofmore » Einstein–Laub force integrates exactly to the same equation, like the Lorentz force with the inclusion of hidden momentum contribution. Thus, none of the available expressions for the force on a moving dipole is compatible with the relativistic transformation of force, and we support this statement with a number of particular examples. In this respect, we suggest applying the Lagrangian approach to the derivation of the force law in a magnetized/polarized medium. In the framework of this approach we obtain the novel expression for the force on a small electric/magnetic dipole, with the novel expression for its generalized momentum. The latter expression implies two novel quantum effects with non-topological phases, when an electric dipole is moving in an electric field, and when a magnetic dipole is moving in a magnetic field. These phases, in general, are not related to dynamical effects, because they are not equal to zero, when the classical force on a dipole is vanishing. The implications of the obtained results are discussed.« less

Qualifying the Sunpower M87N Cryocooler for Operation in the AMS-02 Magnetic Field

NASA Technical Reports Server (NTRS)

Mustafi, Shuvo; Banks, Stuart; Shirey, Kim; Breon, Susan

2003-01-01

The Alpha Magnetic Spectrometer-02 (AMs-02) experiment uses a superfluid helium dewar to cool a large superconducting magnet. The outer vapor-cooled shields of the dewar are to be held at 80 K by four Sunpower M87N cryocoolers. These cryocoolers have magnetic components that might interact with the external applied field generated by the superconducting magnet, thereby degrading the cryocoolers' performance. Engineering models of the Sunpower M87 have been qualified for operation in a magnetic environment similar to the AMs-02 magnetic environment. Although there was no noticeable performance degradation at field levels that were comparable to AMs-02 field levels, there appears to be a small performance degradation at higher field levels. It was theorized that there were three possible issues related to these performance losses at high magnetic fields: i) induced piston rubbing on the cylinder wall due to forces and torques on the linear motor due to the applied magnetic fields; ii) Magnetic hysteretic and/or eddy current damping of the balancer due to its motion in the applied magnetic fields; iii) Inductance losses in motor due to the applied magnetic field. The experiments conducted at the Massachusetts Institute of Technology (MIT) cyclotron facility in June 2002 were designed to test these. Tests were performed over a range of field levels that were lower, comparable, and higher than the field levels that the cryocoolers will experience in the AMs-02 operating environment. This paper describes the experiments and the inferences derived from them.

Fabrication and Manipulation of Ciliary Microrobots with Non-reciprocal Magnetic Actuation

PubMed Central

Kim, Sangwon; Lee, Seungmin; Lee, Jeonghun; Nelson, Bradley J.; Zhang, Li; Choi, Hongsoo

2016-01-01

Magnetically actuated ciliary microrobots were designed, fabricated, and manipulated to mimic cilia-based microorganisms such as paramecia. Full three-dimensional (3D) microrobot structures were fabricated using 3D laser lithography to form a polymer base structure. A nickel/titanium bilayer was sputtered onto the cilia part of the microrobot to ensure magnetic actuation and biocompatibility. The microrobots were manipulated by an electromagnetic coil system, which generated a stepping magnetic field to actuate the cilia with non-reciprocal motion. The cilia beating motion produced a net propulsive force, resulting in movement of the microrobot. The magnetic forces on individual cilia were calculated with various input parameters including magnetic field strength, cilium length, applied field angle, actual cilium angle, etc., and the translational velocity was measured experimentally. The position and orientation of the ciliary microrobots were precisely controlled, and targeted particle transportation was demonstrated experimentally. PMID:27470077

High shear rate flow in a linear stroke magnetorheological energy absorber

NASA Astrophysics Data System (ADS)

Hu, W.; Wereley, N. M.; Hiemenz, G. J.; Ngatu, G. T.

2014-05-01

To provide adaptive stroking load in the crew seats of ground vehicles to protect crew from blast or impact loads, a magnetorheological energy absorber (MREA) or shock absorber was developed. The MREA provides appropriate levels of controllable stroking load for different occupant weights and peak acceleration because the viscous stroking load generated by the MREA force increases with velocity squared, thereby reducing its controllable range at high piston velocity. Therefore, MREA behavior at high piston velocity is analyzed and validated experimentally in order to investigate the effects of velocity and magnetic field on MREA performance. The analysis used to predict the MREA force as a function of piston velocity squared and applied field is presented. A conical fairing is mounted to the piston head of the MREA in order reduce predicted inlet flow loss by 9% at nominal velocity of 8 m/s, which resulted in a viscous force reduction of nominally 4%. The MREA behavior is experimentally measured using a high speed servo-hydraulic testing system for speeds up to 8 m/s. The measured MREA force is used to validate the analysis, which captures the transient force quite accurately, although the peak force is under-predicted at the peak speed of 8 m/s.

Electromagnetic Forces in a Hybrid Magnetic-Bearing Switched-Reluctance Motor

NASA Technical Reports Server (NTRS)

Morrison, Carlos R.; Siebert, Mark W.; Ho, Eric J.

2008-01-01

Analysis and experimental measurement of the electromagnetic force loads on the hybrid rotor in a novel hybrid magnetic-bearing switched-reluctance motor (MBSRM) have been performed. A MBSRM has the combined characteristics of a switched-reluctance motor and a magnetic bearing. The MBSRM discussed in this report has an eight-pole stator and a six-pole hybrid rotor, which is composed of circular and scalloped lamination segments. The hybrid rotor is levitated using only one set of four stator poles, while a second set of four stator poles imparts torque to the scalloped portion of the rotor, which is driven in a traditional switched reluctance manner by a processor. Static torque and radial force analysis were done for rotor poles that were oriented to achieve maximum and minimum radial force loads on the rotor. The objective is to assess whether simple one-dimensional magnetic circuit analysis is sufficient for preliminary evaluation of this machine, which may exhibit strong three-dimensional electromagnetic field behavior. Two magnetic circuit geometries, approximating the complex topology of the magnetic fields in and around the hybrid rotor, were employed in formulating the electromagnetic radial force equations. Reasonable agreement between the experimental and the theoretical radial force loads predictions was obtained with typical magnetic bearing derating factors applied to the predictions.

Directional solidification of Bi-Mn alloys using an applied magnetic field

NASA Technical Reports Server (NTRS)

Decarlo, J. L.; Pirich, R. G.

1987-01-01

Off-eutectic compositions of Bi-Mn were directionally solidified in applied transverse magnetic fields up to 3 kG, to determine the effects on thermal and solutal convection. Plane front directional solidification of eutectic and near-eutectic Bi-Mn results in a two-phase rodlike morphology consisting of ferromagnetic MnBi rods in a Bi solid solution matrix. Compositions of either side of the eutectic were studied in growth orientations vertically up and down. Temperature gradient was monitored during growth by means of an in-situ thermocouple. For Bi-rich compositions, the magnetic field appeared to increase mixing as determined from thermal, morphological, chemical, and magnetic analyses. For Mn-rich compositions, morphological and chemical analyses suggest some reduction in mixing due to application of the magnetic force. The capability for carrying out directional solidification of Bi-Mn in high longitudinal magnetic fields was established.

Countering Weapons Of Mass Destruction: A Preliminary Field Study In Improving Collaboration

DTIC Science & Technology

2016-03-01

Powers, Tim Gildea, and Scot Gonzalez. Thanks to the operators of First Special Forces Group, whose participation and insights enhanced the exercise. A...Jossey-Bass, 1989); Barbara Gray and D. J. Wood , “Collaborative Alliances: Moving from Practice to Theory,” Journal of Applied Behavioral Science 27...and D. J. Wood . “Collaborative Alliances: Moving from Practice to Theory.” Journal of Applied Behavioral Science 27, no. 2 (1991): 3–22. Gray

ELECTROMAGNETICALLY INDUCED DISTORTION OF A FIBRIN MATRIX WITH EMBEDDED MICROPARTICLES

PubMed Central

SCOGIN, TYLER; YESUDASAN, SUMITH; WALKER, MITCHELL L. R.

2018-01-01

Blood clots occur in the human body when they are required to prevent bleeding. In pathological states such as diabetes and sickle cell disease, blood clots can also form undesirably due to hypercoagulable plasma conditions. With the continued effort in developing fibrin therapies for potential life-saving solutions, more mechanical modeling is needed to understand the properties of fibrin structures with inclusions. In this study, a fibrin matrix embedded with magnetic micro particles (MMPs) was subjected to a magnetic field to determine the magnitude of the required force to create plastic deformation within the fibrin clot. Using finite element (FE) analysis, we estimated the magnetic force from an electromagnet at a sample space located approximately 3 cm away from the coil center. This electromagnetic force coupled with gravity was applied on a fibrin mechanical system with MMPs to calculate the stresses and displacements. Using appropriate coil parameters, it was determined that application of a magnetic field of 730 A/m on the fibrin surface was necessary to achieve an electromagnetic force of 36 nN (to engender plastic deformation). PMID:29628543

Disruption of coronal magnetic field arcades

NASA Technical Reports Server (NTRS)

Mikic, Zoran; Linker, Jon A.

1994-01-01

The ideal and resistive properties of isolated large-scale coronal magnetic arcades are studied using axisymmetric solutions of the time-dependent magnetohydrodynamic (MHD) equations in spherical geometry. We examine how flares and coronal mass ejections may be initiated by sudden disruptions of the magnetic field. The evolution of coronal arcades in response to applied shearing photospheric flows indicates that disruptive behavior can occur beyond a critical shear. The disruption can be traced to ideal MHD magnetic nonequilibrium. The magnetic field expands outward in a process that opens the field lines and produces a tangential discontinuity in the magnetic field. In the presence of plasma resistivity, the resulting current sheet is the site of rapid reconnection, leading to an impulsive release of magnetic energy, fast flows, and the ejection of a plasmoid. We relate these results to previous studies of force-free fields and to the properties of the open-field configuration. We show that the field lines in an arcade are forced open when the magnetic energy approaches (but is still below) the open-field energy, creating a partially open field in which most of the field lines extend away from the solar surface. Preliminary application of this model to helmet streamers indicates that it is relevant to the initiation of coronal mass ejections.

Force-Free Magnetic Fields Calculated from Automated Tracing of Coronal Loops with AIA/SDO

NASA Astrophysics Data System (ADS)

Aschwanden, M. J.

2013-12-01

One of the most realistic magnetic field models of the solar corona is a nonlinear force-free field (NLFFF) solution. There exist about a dozen numeric codes that compute NLFFF solutions based on extrapolations of photospheric vector magnetograph data. However, since the photosphere and lower chromosphere is not force-free, a suitable correction has to be applied to the lower boundary condition. Despite of such "pre-processing" corrections, the resulting theoretical magnetic field lines deviate substantially from observed coronal loop geometries. - Here we developed an alternative method that fits an analytical NLFFF approximation to the observed geometry of coronal loops. The 2D coordinates of the geometry of coronal loop structures observed with AIA/SDO are traced with the "Oriented Coronal CUrved Loop Tracing" (OCCULT-2) code, an automated pattern recognition algorithm that has demonstrated the fidelity in loop tracing matching visual perception. A potential magnetic field solution is then derived from a line-of-sight magnetogram observed with HMI/SDO, and an analytical NLFFF approximation is then forward-fitted to the twisted geometry of coronal loops. We demonstrate the performance of this magnetic field modeling method for a number of solar active regions, before and after major flares observed with SDO. The difference of the NLFFF and the potential field energies allows us then to compute the free magnetic energy, which is an upper limit of the energy that is released during a solar flare.

Is the Conformational Ensemble of Alzheimer’s Aβ10-40 Peptide Force Field Dependent?

PubMed Central

Siwy, Christopher M.

2017-01-01

By applying REMD simulations we have performed comparative analysis of the conformational ensembles of amino-truncated Aβ10-40 peptide produced with five force fields, which combine four protein parameterizations (CHARMM36, CHARMM22*, CHARMM22/cmap, and OPLS-AA) and two water models (standard and modified TIP3P). Aβ10-40 conformations were analyzed by computing secondary structure, backbone fluctuations, tertiary interactions, and radius of gyration. We have also calculated Aβ10-40 3JHNHα-coupling and RDC constants and compared them with their experimental counterparts obtained for the full-length Aβ1-40 peptide. Our study led us to several conclusions. First, all force fields predict that Aβ adopts unfolded structure dominated by turn and random coil conformations. Second, specific TIP3P water model does not dramatically affect secondary or tertiary Aβ10-40 structure, albeit standard TIP3P model favors slightly more compact states. Third, although the secondary structures observed in CHARMM36 and CHARMM22/cmap simulations are qualitatively similar, their tertiary interactions show little consistency. Fourth, two force fields, OPLS-AA and CHARMM22* have unique features setting them apart from CHARMM36 or CHARMM22/cmap. OPLS-AA reveals moderate β-structure propensity coupled with extensive, but weak long-range tertiary interactions leading to Aβ collapsed conformations. CHARMM22* exhibits moderate helix propensity and generates multiple exceptionally stable long- and short-range interactions. Our investigation suggests that among all force fields CHARMM22* differs the most from CHARMM36. Fifth, the analysis of 3JHNHα-coupling and RDC constants based on CHARMM36 force field with standard TIP3P model led us to an unexpected finding that in silico Aβ10-40 and experimental Aβ1-40 constants are generally in better agreement than these quantities computed and measured for identical peptides, such as Aβ1-40 or Aβ1-42. This observation suggests that the differences in the conformational ensembles of Aβ10-40 and Aβ1-40 are small and the former can be used as proxy of the full-length peptide. Based on this argument, we concluded that CHARMM36 force field with standard TIP3P model produces the most accurate representation of Aβ10-40 conformational ensemble. PMID:28085875

Polarization reversal due to charge injection in ferroelectric films

NASA Astrophysics Data System (ADS)

Bühlmann, S.; Colla, E.; Muralt, P.

2005-12-01

The origin of a recently reported peculiar phenomenon—polarization reversal against the applied electric field in ferroelectric thin films [M. Aplanalp and P. Günter, Ferroelectrics 258, 3 (2001), T. Morita and Y. Cho, Appl. Phys. Lett. 84, 257 (2004)]—has been identified. The phenomenon is observed when poling a ferroelectric film with a large electric field applied to a conductive tip of an atomic force microscope (AFM). The effect seems to be of quite general nature as it has been observed on BaTiO3 [Aplanalp , Phys. Rev. Lett. 86, 5799 (2001)] as well as on LiTaO3 films [I. Morita and Y. Cho Appl. Phys. Lett. 84, 257 (2004)]. It was proposed that this switching is provoked by mechanical stress due to the Maxwell force between tip and bottom electrode [Aplanalp , Phys. Rev. Lett. 86, 5799 (2001)]. We have studied the same phenomenon in PbZr0.4Ti0.6O3 (PZT) thin films, deposited as epitaxial film on conductive, Nb-doped SrTiO3 single crystals. New experimental evidence strongly supports a different explanation. The poling process is accompanied by considerable charge injection leading to important space charges inside the ferroelectric film. These charges finally can lead, for given conditions, to a polarization reversal when the applied voltage to the conductive AFM tip is set to zero. Two analytical models are proposed to explain field inversion in the upper part of the film.

Dependence of Interaction Free Energy between Solutes on an External Electrostatic Field

PubMed Central

Yang, Pei-Kun

2013-01-01

To explore the athermal effect of an external electrostatic field on the stabilities of protein conformations and the binding affinities of protein-protein/ligand interactions, the dependences of the polar and hydrophobic interactions on the external electrostatic field, −Eext, were studied using molecular dynamics (MD) simulations. By decomposing Eext into, along, and perpendicular to the direction formed by the two solutes, the effect of Eext on the interactions between these two solutes can be estimated based on the effects from these two components. Eext was applied along the direction of the electric dipole formed by two solutes with opposite charges. The attractive interaction free energy between these two solutes decreased for solutes treated as point charges. In contrast, the attractive interaction free energy between these two solutes increased, as observed by MD simulations, for Eext = 40 or 60 MV/cm. Eext was applied perpendicular to the direction of the electric dipole formed by these two solutes. The attractive interaction free energy was increased for Eext = 100 MV/cm as a result of dielectric saturation. The force on the solutes along the direction of Eext computed from MD simulations was greater than that estimated from a continuum solvent in which the solutes were treated as point charges. To explore the hydrophobic interactions, Eext was applied to a water cluster containing two neutral solutes. The repulsive force between these solutes was decreased/increased for Eext along/perpendicular to the direction of the electric dipole formed by these two solutes. PMID:23852018

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

NASA Astrophysics Data System (ADS)

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

2017-12-01

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

Magnetic response of brickwork artificial spin ice

NASA Astrophysics Data System (ADS)

Park, Jungsik; Le, Brian L.; Sklenar, Joseph; Chern, Gia-Wei; Watts, Justin D.; Schiffer, Peter

2017-07-01

We have investigated the response of brickwork artificial spin ice to an applied in-plane magnetic field through magnetic force microscopy, magnetotransport measurements, and micromagnetic simulations. We find that, by sweeping an in-plane applied field from saturation to zero in a narrow range of angles near one of the principal axes of the lattice, the moments of the system fall into an antiferromagnetic ground state in both connected and disconnected structures. Magnetotransport measurements of the connected lattice exhibit unique signatures of this ground state. Also, modeling of the magnetotransport demonstrates that the signal arises at vertex regions in the structure, confirming behavior that was previously seen in transport studies of kagome artificial spin ice.

Novel Applications of Magnetic Fields for Fluid Flow Control and for Simulating Variable Gravity Conditions

NASA Technical Reports Server (NTRS)

Ramachandran, N.

2005-01-01

Static and dynamic magnetic fields have been used to control convection in many materials processing applications. In most of the applications, convection control (damping or enhancement) is achieved through the Lorentz force that can be tailored to counteract/assist dominant system flows. This technique has been successfully applied to liquids that are electrically conducting, such as high temperature melts of semiconductors, metals and alloys, etc. In liquids with low electrical conductivity such as ionic solutions of salts in water, the Lorentz force is weak and hence not very effective and alternate ways of flow control are necessary. If the salt in solution is paramagnetic then the variation of magnetic susceptibility with temperature and/or concentration can be used for flow control. For thermal buoyancy driven flows this can be accomplished in a temperature range below the Curie point of the salt. The magnetic force is proportional to the magnetic susceptibility and the product of the magnetic field and its gradient. By suitably positioning the experiment cell in the magnet, system flows can be assisted or countered, as desired. A similar approach can be extended to diamagnetic substances and fluids but the required magnetic force is considerably larger than that required for paramagnetic substances. The presentation will provide an overview of work to date on a NASA fluid physics sponsored project that aims to test the hypothesis of convective flow control using strong magnetic fields in protein crystal growth. The objective is to understand the nature of the various forces that come into play, delineate causative factors for fluid flow and to quantify them through experiments, analysis, and numerical modeling. The seminar will report specifically on the experimental results using paramagnetic salts and solutions in magnetic fields and compare them to analytical predictions. Applications of the concept to protein crystallization studies will be discussed. The use of strong magnetic fields for terrestrially simulating variable gravity environments and applications supporting the NASA Exploration Initiative will also be briefly discussed.

Numerical Investigation of Force-Free Magnetophoresis of Nonspherical Microparticles

NASA Astrophysics Data System (ADS)

Zhang, Jie; Wang, Cheng

2017-11-01

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

A contact-force regulated photoplethysmography (PPG) platform

NASA Astrophysics Data System (ADS)

Sim, Jai Kyoung; Ahn, Bongyoung; Doh, Il

2018-04-01

A photoplethysmography (PPG) platform integrated with a miniaturized force-regulator is proposed in this study. Because a thermo-pneumatic type regulator maintains a consistent contact-force between the PPG probe and the measuring site, a consistent and stable PPG signal can be obtained. We designed and fabricated a watch-type PPG platform with an overall size of 35 mm × 19 mm. In the PPG measurement on the radial artery wrist while posture of the wrist is changed to extension, neutral, or flexion, regulation of the contact-force provides consistent PPG measurements for which the variations in the PPG amplitude (PPGA) was 7.2 %. The proposed PPG platform can be applied to biosignal measurements in various fields such as PPG-based ANS monitoring to estimate nociception, sleep apnea syndrome, and psychological stress.

Highly sensitive protein detection by combination of atomic force microscopy fishing with charge generation and mass spectrometry analysis.

PubMed

Ivanov, Yuri D; Pleshakova, Tatyana; Malsagova, Krystina; Kozlov, Andrey; Kaysheva, Anna; Kopylov, Arthur; Izotov, Alexander; Andreeva, Elena; Kanashenko, Sergey; Usanov, Sergey; Archakov, Alexander

2014-10-01

An approach combining atomic force microscopy (AFM) fishing and mass spectrometry (MS) analysis to detect proteins at ultra-low concentrations is proposed. Fishing out protein molecules onto a highly oriented pyrolytic graphite surface coated with polytetrafluoroethylene film was carried out with and without application of an external electric field. After that they were visualized by AFM and identified by MS. It was found that injection of solution leads to charge generation in the solution, and an electric potential within the measuring cell is induced. It was demonstrated that without an external electric field in the rapid injection input of diluted protein solution the fishing is efficient, as opposed to slow fluid input. The high sensitivity of this method was demonstrated by detection of human serum albumin and human cytochrome b5 in 10(-17) -10(-18) m water solutions. It was shown that an external negative voltage applied to highly oriented pyrolytic graphite hinders the protein fishing. The efficiency of fishing with an external positive voltage was similar to that obtained without applying any voltage. © 2014 FEBS.

Virtual surface characteristics of a tactile display using magneto-rheological fluids.

PubMed

Lee, Chul-Hee; Jang, Min-Gyu

2011-01-01

Virtual surface characteristics of tactile displays are investigated to characterize the feeling of human touch for a haptic interface application. In order to represent the tactile feeling, a prototype tactile display incorporating Magneto-Rheological (MR) fluid has been developed. Tactile display devices simulate the finger's skin to feel the sensations of contact such as compliance, friction, and topography of the surface. Thus, the tactile display can provide information on the surface of an organic tissue to the surgeon in virtual reality. In order to investigate the compliance feeling of a human finger's touch, normal force responses of a tactile display under various magnetic fields have been assessed. Also, shearing friction force responses of the tactile display are investigated to simulate the action of finger dragging on the surface. Moreover, different matrix arrays of magnetic poles are applied to form the virtual surface topography. From the results, different tactile feelings are observed according to the applied magnetic field strength as well as the arrays of magnetic poles combinations. This research presents a smart tactile display technology for virtual surfaces.

Probing cytoskeleton organisation of neuroblastoma cells with single-cell force spectroscopy.

PubMed

Mescola, Andrea; Vella, Serena; Scotto, Marco; Gavazzo, Paola; Canale, Claudio; Diaspro, Alberto; Pagano, Aldo; Vassalli, Massimo

2012-05-01

Single-cell force spectroscopy is an emerging technique in the field of biomedicine because it has proved to be a unique tool to obtain mechanical and functional information on living cells, with force resolution up to single molecular bonds. This technique was applied to the study of the cytoskeleton organisation of neuroblastoma cells, a life-threatening cancer typically developing during childhood, and the results were interpreted on the basis of reference experiments on human embryonic kidney cell line. An intimate connection emerges among cellular state, cytoskeleton organisation and experimental outcome that can be potentially exploited towards a new method for cancer stadiation of neuroblastoma cells. Copyright © 2012 John Wiley & Sons, Ltd.

Mapping the conformational free energy of aspartic acid in the gas phase and in aqueous solution.

PubMed

Comitani, Federico; Rossi, Kevin; Ceriotti, Michele; Sanz, M Eugenia; Molteni, Carla

2017-04-14

The conformational free energy landscape of aspartic acid, a proteogenic amino acid involved in a wide variety of biological functions, was investigated as an example of the complexity that multiple rotatable bonds produce even in relatively simple molecules. To efficiently explore such a landscape, this molecule was studied in the neutral and zwitterionic forms, in the gas phase and in water solution, by means of molecular dynamics and the enhanced sampling method metadynamics with classical force-fields. Multi-dimensional free energy landscapes were reduced to bi-dimensional maps through the non-linear dimensionality reduction algorithm sketch-map to identify the energetically stable conformers and their interconnection paths. Quantum chemical calculations were then performed on the minimum free energy structures. Our procedure returned the low energy conformations observed experimentally in the gas phase with rotational spectroscopy [M. E. Sanz et al., Phys. Chem. Chem. Phys. 12, 3573 (2010)]. Moreover, it provided information on higher energy conformers not accessible to experiments and on the conformers in water. The comparison between different force-fields and quantum chemical data highlighted the importance of the underlying potential energy surface to accurately capture energy rankings. The combination of force-field based metadynamics, sketch-map analysis, and quantum chemical calculations was able to produce an exhaustive conformational exploration in a range of significant free energies that complements the experimental data. Similar protocols can be applied to larger peptides with complex conformational landscapes and would greatly benefit from the next generation of accurate force-fields.

Mapping the conformational free energy of aspartic acid in the gas phase and in aqueous solution

NASA Astrophysics Data System (ADS)

Comitani, Federico; Rossi, Kevin; Ceriotti, Michele; Sanz, M. Eugenia; Molteni, Carla

2017-04-01

The conformational free energy landscape of aspartic acid, a proteogenic amino acid involved in a wide variety of biological functions, was investigated as an example of the complexity that multiple rotatable bonds produce even in relatively simple molecules. To efficiently explore such a landscape, this molecule was studied in the neutral and zwitterionic forms, in the gas phase and in water solution, by means of molecular dynamics and the enhanced sampling method metadynamics with classical force-fields. Multi-dimensional free energy landscapes were reduced to bi-dimensional maps through the non-linear dimensionality reduction algorithm sketch-map to identify the energetically stable conformers and their interconnection paths. Quantum chemical calculations were then performed on the minimum free energy structures. Our procedure returned the low energy conformations observed experimentally in the gas phase with rotational spectroscopy [M. E. Sanz et al., Phys. Chem. Chem. Phys. 12, 3573 (2010)]. Moreover, it provided information on higher energy conformers not accessible to experiments and on the conformers in water. The comparison between different force-fields and quantum chemical data highlighted the importance of the underlying potential energy surface to accurately capture energy rankings. The combination of force-field based metadynamics, sketch-map analysis, and quantum chemical calculations was able to produce an exhaustive conformational exploration in a range of significant free energies that complements the experimental data. Similar protocols can be applied to larger peptides with complex conformational landscapes and would greatly benefit from the next generation of accurate force-fields.

A downscaling scheme for atmospheric variables to drive soil-vegetation-atmosphere transfer models

NASA Astrophysics Data System (ADS)

Schomburg, A.; Venema, V.; Lindau, R.; Ament, F.; Simmer, C.

2010-09-01

For driving soil-vegetation-transfer models or hydrological models, high-resolution atmospheric forcing data is needed. For most applications the resolution of atmospheric model output is too coarse. To avoid biases due to the non-linear processes, a downscaling system should predict the unresolved variability of the atmospheric forcing. For this purpose we derived a disaggregation system consisting of three steps: (1) a bi-quadratic spline-interpolation of the low-resolution data, (2) a so-called `deterministic' part, based on statistical rules between high-resolution surface variables and the desired atmospheric near-surface variables and (3) an autoregressive noise-generation step. The disaggregation system has been developed and tested based on high-resolution model output (400m horizontal grid spacing). A novel automatic search-algorithm has been developed for deriving the deterministic downscaling rules of step 2. When applied to the atmospheric variables of the lowest layer of the atmospheric COSMO-model, the disaggregation is able to adequately reconstruct the reference fields. Applying downscaling step 1 and 2, root mean square errors are decreased. Step 3 finally leads to a close match of the subgrid variability and temporal autocorrelation with the reference fields. The scheme can be applied to the output of atmospheric models, both for stand-alone offline simulations, and a fully coupled model system.

Instabilities of conducting fluid flows in cylindrical shells under external forcing

NASA Astrophysics Data System (ADS)

Burguete, Javier; Miranda, Montserrat

2010-11-01

Flows created in neutral conducting flows remain one of the less studied topics of fluid dynamics, in spite of their relevance both in fundamental research (dynamo action, turbulence suppression) and applications (continuous casting, aluminium production, biophysics). Here we present the effect of a time-dependent magnetic field parallel to the axis of circular cavities. Due to the Lenz's law, the time-dependent magnetic field generates an azymuthal current, that produces a radial force. This force produces the destabilization of the static fluid layer, and a flow is created. The geommetry of the experimental cell is a disc layer with external diameter smaller than 94 mm, with or without internal hole. The layer is up to 20mm depth, and we use as conducting fluid an In-Ga-Sn alloy. There is no external current applied on the problem, only an external magnetic field. This field evolves harmonically with a frequency up to 10Hz, small enough to not to observe skin depth effects. The magnitude ranges from 0 to 0.1 T. With a threshold of 0.01T a dynamical behaviour is observed, and the main characteristics of this flow have been determined: different temporal resonances and spatial patterns with differents symmetries (squares, hexagonal, triangles,...).

Magnetic tweezers for the measurement of twist and torque.

PubMed

Lipfert, Jan; Lee, Mina; Ordu, Orkide; Kerssemakers, Jacob W J; Dekker, Nynke H

2014-05-19

Single-molecule techniques make it possible to investigate the behavior of individual biological molecules in solution in real time. These techniques include so-called force spectroscopy approaches such as atomic force microscopy, optical tweezers, flow stretching, and magnetic tweezers. Amongst these approaches, magnetic tweezers have distinguished themselves by their ability to apply torque while maintaining a constant stretching force. Here, it is illustrated how such a "conventional" magnetic tweezers experimental configuration can, through a straightforward modification of its field configuration to minimize the magnitude of the transverse field, be adapted to measure the degree of twist in a biological molecule. The resulting configuration is termed the freely-orbiting magnetic tweezers. Additionally, it is shown how further modification of the field configuration can yield a transverse field with a magnitude intermediate between that of the "conventional" magnetic tweezers and the freely-orbiting magnetic tweezers, which makes it possible to directly measure the torque stored in a biological molecule. This configuration is termed the magnetic torque tweezers. The accompanying video explains in detail how the conversion of conventional magnetic tweezers into freely-orbiting magnetic tweezers and magnetic torque tweezers can be accomplished, and demonstrates the use of these techniques. These adaptations maintain all the strengths of conventional magnetic tweezers while greatly expanding the versatility of this powerful instrument.

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

Wiegelmann, T.; Solanki, S. K.; Barthol, P.

Magneto-static models may overcome some of the issues facing force-free magnetic field extrapolations. So far they have seen limited use and have faced problems when applied to quiet-Sun data. Here we present a first application to an active region. We use solar vector magnetic field measurements gathered by the IMaX polarimeter during the flight of the Sunrise balloon-borne solar observatory in 2013 June as boundary conditions for a magneto-static model of the higher solar atmosphere above an active region. The IMaX data are embedded in active region vector magnetograms observed with SDO /HMI. This work continues our magneto-static extrapolation approach,more » which was applied earlier to a quiet-Sun region observed with Sunrise I. In an active region the signal-to-noise-ratio in the measured Stokes parameters is considerably higher than in the quiet-Sun and consequently the IMaX measurements of the horizontal photospheric magnetic field allow us to specify the free parameters of the model in a special class of linear magneto-static equilibria. The high spatial resolution of IMaX (110–130 km, pixel size 40 km) enables us to model the non-force-free layer between the photosphere and the mid-chromosphere vertically by about 50 grid points. In our approach we can incorporate some aspects of the mixed beta layer of photosphere and chromosphere, e.g., taking a finite Lorentz force into account, which was not possible with lower-resolution photospheric measurements in the past. The linear model does not, however, permit us to model intrinsic nonlinear structures like strongly localized electric currents.« less

Magnetic field effects on the vestibular system: calculation of the pressure on the cupula due to ionic current-induced Lorentz force.

PubMed

Antunes, A; Glover, P M; Li, Y; Mian, O S; Day, B L

2012-07-21

Large static magnetic fields may be employed in magnetic resonance imaging (MRI). At high magnetic field strengths (usually from about 3 T and above) it is possible for humans to perceive a number of effects. One such effect is mild vertigo. Recently, Roberts et al (2011 Current Biology 21 1635-40) proposed a Lorentz-force mechanism resulting from the ionic currents occurring naturally in the endolymph of the vestibular system. In the present work a more detailed calculation of the forces and resulting pressures in the vestibular system is carried out using a numerical model. Firstly, realistic 3D finite element conductivity and fluid maps of the utricle and a single semi-circular canal containing the current sources (dark cells) and sinks (hair cells) of the utricle and ampulla were constructed. Secondly, the electrical current densities in the fluid are calculated. Thirdly, the developed Lorentz force is used directly in the Navier-Stokes equation and the trans-cupular pressure is computed. Since the driving force field is relatively large in comparison with the advective acceleration, we demonstrate that it is possible to perform an approximation in the Navier-Stokes equations that reduces the problem to solving a simpler Poisson equation. This simplification allows rapid and easy calculation for many different directions of applied magnetic field. At 7 T a maximum cupula pressure difference of 1.6 mPa was calculated for the combined ampullar (0.7 µA) and utricular (3.31 µA) distributed current sources, assuming a hair-cell resting current of 100 pA per unit. These pressure values are up to an order of magnitude lower than those proposed by Roberts et al using a simplistic model and calculation, and are in good agreement with the estimated pressure values for nystagmus velocities in caloric experiments. This modeling work supports the hypothesis that the Lorentz force mechanism is a significant contributor to the perception of magnetic field induced vertigo.

Current Status of Protein Force Fields for Molecular Dynamics

PubMed Central

Lopes, Pedro E.M.; Guvench, Olgun

2015-01-01

Summary The current status of classical force fields for proteins is reviewed. These include additive force fields as well as the latest developments in the Drude and AMOEBA polarizable force fields. Parametrization strategies developed specifically for the Drude force field are described and compared with the additive CHARMM36 force field. Results from molecular simulations of proteins and small peptides are summarized to illustrate the performance of the Drude and AMOEBA force fields. PMID:25330958

Topographic profiling and refractive-index analysis by use of differential interference contrast with bright-field intensity and atomic force imaging.

PubMed

Axelrod, Noel; Radko, Anna; Lewis, Aaron; Ben-Yosef, Nissim

2004-04-10

A methodology is described for phase restoration of an object function from differential interference contrast (DIC) images. The methodology involves collecting a set of DIC images in the same plane with different bias retardation between the two illuminating light components produced by a Wollaston prism. These images, together with one conventional bright-field image, allows for reduction of the phase deconvolution restoration problem from a highly complex nonlinear mathematical formulation to a set of linear equations that can be applied to resolve the phase for images with a relatively large number of pixels. Additionally, under certain conditions, an on-line atomic force imaging system that does not interfere with the standard DIC illumination modes resolves uncertainties in large topographical variations that generally lead to a basic problem in DIC imaging, i.e., phase unwrapping. Furthermore, the availability of confocal detection allows for a three-dimensional reconstruction with high accuracy of the refractive-index measurement of the object that is to be imaged. This has been applied to reconstruction of the refractive index of an arrayed waveguide in a region in which a defect in the sample is present. The results of this paper highlight the synergism of far-field microscopies integrated with scanned probe microscopies and restoration algorithms for phase reconstruction.

Influences on Distribution of Solute Atoms in Cu-8Fe Alloy Solidification Process Under Rotating Magnetic Field

NASA Astrophysics Data System (ADS)

Zou, Jin; Zhai, Qi-Jie; Liu, Fang-Yu; Liu, Ke-Ming; Lu, De-Ping

2018-05-01

A rotating magnetic field (RMF) was applied in the solidification process of Cu-8Fe alloy. Focus on the mechanism of RMF on the solid solution Fe(Cu) atoms in Cu-8Fe alloy, the influences of RMF on solidification structure, solute distribution, and material properties were discussed. Results show that the solidification behavior of Cu-Fe alloy have influenced through the change of temperature and solute fields in the presence of an applied RMF. The Fe dendrites were refined and transformed to rosettes or spherical grains under forced convection. The solute distribution in Cu-rich phase and Fe-rich phase were changed because of the variation of the supercooling degree and the solidification rate. Further, the variation in solute distribution was impacted the strengthening mechanism and conductive mechanism of the material.

Analysis of the axisymmetric indentation of a semi-infinite piezoelectric material: The evaluation of the contact stiffness and the effective piezoelectric constant

NASA Astrophysics Data System (ADS)

Yang, Fuqian

2008-04-01

A general solution of the axisymmetric indentation is obtained in the closed form for a semi-infinite, transverse isotropic piezoelectric material by a rigid-conducting indenter of arbitrary-axisymmetric profile. Explicit relationships are derived for dependences of the indentation depth and the indentation-induced charge on indentation force and applied electrical potential. Simple formulas are obtained for contact stiffness and effective piezoelectric constant, which can be used in indentation test and piezoresponse force microscopy to analyze the elastic and piezoelectric responses of piezoelectric materials. Depending on the direction of electric field (the potential difference), the electric field can either increase or suppress indentation deformation. The corresponding results are given for cylindrical, conical, and paraboloidal indenters.

Molecular dynamics simulations and free energy calculations on the enzyme 4-hydroxyphenylpyruvate dioxygenase.

PubMed

De Beer, Stephanie B A; Glättli, Alice; Hutzler, Johannes; Vermeulen, Nico P E; Oostenbrink, Chris

2011-07-30

4-Hydroxyphenylpyruvate dioxygenase is a relevant target in both pharmaceutical and agricultural research. We report on molecular dynamics simulations and free energy calculations on this enzyme, in complex with 12 inhibitors for which experimental affinities were determined. We applied the thermodynamic integration approach and the more efficient one-step perturbation. Even though simulations seem well converged and both methods show excellent agreement between them, the correlation with the experimental values remains poor. We investigate the effect of slight modifications on the charge distribution of these highly conjugated systems and find that accurate models can be obtained when using improved force field parameters. This study gives insight into the applicability of free energy methods and current limitations in force field parameterization. Copyright © 2011 Wiley Periodicals, Inc.

Hierarchical Shared Control of Cane-Type Walking-Aid Robot

PubMed Central

Tao, Chunjing

2017-01-01

A hierarchical shared-control method of the walking-aid robot for both human motion intention recognition and the obstacle emergency-avoidance method based on artificial potential field (APF) is proposed in this paper. The human motion intention is obtained from the interaction force measurements of the sensory system composed of 4 force-sensing registers (FSR) and a torque sensor. Meanwhile, a laser-range finder (LRF) forward is applied to detect the obstacles and try to guide the operator based on the repulsion force calculated by artificial potential field. An obstacle emergency-avoidance method which comprises different control strategies is also assumed according to the different states of obstacles or emergency cases. To ensure the user's safety, the hierarchical shared-control method combines the intention recognition method with the obstacle emergency-avoidance method based on the distance between the walking-aid robot and the obstacles. At last, experiments validate the effectiveness of the proposed hierarchical shared-control method. PMID:29093805

Highly sensitive force sensor based on balloon-like interferometer

NASA Astrophysics Data System (ADS)

Wu, Yue; Xiao, Shiying; Xu, Yao; Shen, Ya; Jiang, Youchao; Jin, Wenxing; Yang, Yuguang; Jian, Shuisheng

2018-07-01

An all-fiber highly sensitive force sensor based on modal interferometer has been presented and demonstrated. The single-mode fiber (SMF) with coating stripped is designed into a balloon-like shape to form a modal interferometer. Due to the bent SMF, the interference occurs between the core mode and cladding modes. With variation of the force applied to the balloon-like interferometer, the bending diameter changes, which caused the wavelength shift of the modal interference. Thus the measurement of the force variation can be achieved by monitoring the wavelength shift. The performances of the interferometer with different bending diameter are experimentally investigated, and the maximum force sensitivity of 24.9 pm/ μ N can be achieved with the bending diameter 14 mm ranging from 0 μ N to 1464.12 μ N. Furthermore, the proposed fiber sensor exhibits the advantages of easy fabrication and low cost, making it a suitable candidate in the optical fiber sensing field.

Exact Solution for Capillary Bridges Properties by Shooting Method

NASA Astrophysics Data System (ADS)

Qiang-Nian, Li; Jia-Qi, Zhang; Feng-Xi, Zhou

2017-04-01

The investigation of liquid bridge force acting between wet particles has great significance in many fields. In this article, the exact solution of capillary force between two unequal-sized spherical particles is investigated. Firstly, The Young-Laplace equation with moving boundary is converted into a set of ordinary differential equations with two fix point boundary using variable substitution technique, in which the gravity effects have been neglected. The geometry of the liquid bridge between two particles is solved by shooting method. After that, the gorge method is applied to calculate the capillary-bridge force that is consists of contributions from the capillary suction and surface tension. Finally, the effect of various parameters including distance between two spheres, radii of spheres, and contact angles on the capillary force are investigated. It is shown that the presented approach is an efficient and accurate algorithm for capillary force between two particles in complex situations.

Design, analysis and test verification of advanced encapsulation systems

NASA Technical Reports Server (NTRS)

Garcia, A., III

1984-01-01

Investigations into transparent conductive polymers were begun. Polypyrrole was electrochemically deposited, but the film characteristics were poor. A proprietary polymer material supplied by Polaroid was evaluated and showed promise as a readily processable material. A method was developed for calculating the magnitude and location of the maximum electric field for the family of solar-cell-like shapes. A method for calculating the lines of force for three dimensional electric fields was developed and applied to a geometry of interest to the photovoltaic program.

Planning and management of the Nido Reef Complex Oil Field development, Philippines

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

Harry, R.Y.

1981-01-01

As Operator for the Northeast Palawan consortium, Philippines-Cities Service, Inc., commenced the Philippines first commercial offshore oil production from the Nido Reef Complex Oil Field on February 1, 1979, some 11 months after a decision by management to start development. The relative speed at which design, fabrication, and construction were accomplished is attributed to the use of the concepts of project planning, task force approach, and project management. This paper presents the above concepts as applied to the Nido Complex.

Vertical Alignment of Single-Walled Carbon Nanotubes on Nanostructure Fabricated by Atomic Force Microscope

DTIC Science & Technology

2007-02-16

SWNT films by Langmuir - Blodgett methods,8 and chemical assembly of SWNTs on a large substrate.9 Al- though these methods provide a good way to control... Langmuir - Blodgett to Self-Assembly. Academic: New York, (1991). [10] Moon, J.H., Shin, J.W., Kim, S.Y., Park, J.W. Langmuir , 12, 4621, (1996...aligning CNTs in solu- tion by applying an electric field5 or a magnetic field,6 align- ing SWNTs by blending them with liquid crystal,7 assem- bling

Self-consistent mean-field approach to the statistical level density in spherical nuclei

NASA Astrophysics Data System (ADS)

Kolomietz, V. M.; Sanzhur, A. I.; Shlomo, S.

2018-06-01

A self-consistent mean-field approach within the extended Thomas-Fermi approximation with Skyrme forces is applied to the calculations of the statistical level density in spherical nuclei. Landau's concept of quasiparticles with the nucleon effective mass and the correct description of the continuum states for the finite-depth potentials are taken into consideration. The A dependence and the temperature dependence of the statistical inverse level-density parameter K is obtained in a good agreement with experimental data.

Precise calculation of the local pressure tensor in Cartesian and spherical coordinates in LAMMPS

NASA Astrophysics Data System (ADS)

Nakamura, Takenobu; Kawamoto, Shuhei; Shinoda, Wataru

2015-05-01

An accurate and efficient algorithm for calculating the 3D pressure field has been developed and implemented in the open-source molecular dynamics package, LAMMPS. Additionally, an algorithm to compute the pressure profile along the radial direction in spherical coordinates has also been implemented. The latter is particularly useful for systems showing a spherical symmetry such as micelles and vesicles. These methods yield precise pressure fields based on the Irving-Kirkwood contour integration and are particularly useful for biomolecular force fields. The present methods are applied to several systems including a buckled membrane and a vesicle.

A survey of propulsion options for cargo and piloted missions to Mars.

PubMed

Sankaran, K; Cassady, L; Kodys, A D; Choueiri, E Y

2004-05-01

In this paper, high-power electric propulsion options are surveyed in the context of cargo and piloted missions to Mars. A low-thrust trajectory optimization program (raptor) is utilized to analyze this mission. Candidate thrusters are chosen based upon demonstrated performance in the laboratory. Hall, self-field magnetoplasmadynamic (MPDT), self-field lithium Lorentz force accelerator (LiLFA), arcjet, and applied-field LiLFA systems are considered for this mission. In this first phase of the study, all thrusters are assumed to operate at a single power level (regardless of the efficiency-power curve), and the thruster specific mass and power plant specific mass are taken to be the same for all systems. Under these assumptions, for a 7.5 MW, 60 mT payload, piloted mission, the self-field LiLFA results in the shortest trip time (340 days) with a reasonable propellant mass fraction of 57% (129 mT). For a 150 kW, 9 mT payload, cargo mission, both the applied-field LiLFA and the Hall thruster seem reasonable choices with propellant mass fractions of 42 to 45%(7 to 8 mT). The Hall thrusters provide better trip times (530-570 days) compared to the applied-field LiLFA (710 days) for the relatively less demanding mission.

Application of Multiplexed Replica Exchange Molecular Dynamics to the UNRES Force Field: Tests with alpha and alpha+beta Proteins.

PubMed

Czaplewski, Cezary; Kalinowski, Sebastian; Liwo, Adam; Scheraga, Harold A

2009-03-10

The replica exchange (RE) method is increasingly used to improve sampling in molecular dynamics (MD) simulations of biomolecular systems. Recently, we implemented the united-residue UNRES force field for mesoscopic MD. Initial results from UNRES MD simulations show that we are able to simulate folding events that take place in a microsecond or even a millisecond time scale. To speed up the search further, we applied the multiplexing replica exchange molecular dynamics (MREMD) method. The multiplexed variant (MREMD) of the RE method, developed by Rhee and Pande, differs from the original RE method in that several trajectories are run at a given temperature. Each set of trajectories run at a different temperature constitutes a layer. Exchanges are attempted not only within a single layer but also between layers. The code has been parallelized and scales up to 4000 processors. We present a comparison of canonical MD, REMD, and MREMD simulations of protein folding with the UNRES force-field. We demonstrate that the multiplexed procedure increases the power of replica exchange MD considerably and convergence of the thermodynamic quantities is achieved much faster.

Application of Multiplexed Replica Exchange Molecular Dynamics to the UNRES Force Field: Tests with α and α+β Proteins

PubMed Central

Czaplewski, Cezary; Kalinowski, Sebastian; Liwo, Adam; Scheraga, Harold A.

2009-01-01

The replica exchange (RE) method is increasingly used to improve sampling in molecular dynamics (MD) simulations of biomolecular systems. Recently, we implemented the united-residue UNRES force field for mesoscopic MD. Initial results from UNRES MD simulations show that we are able to simulate folding events that take place in a microsecond or even a millisecond time scale. To speed up the search further, we applied the multiplexing replica exchange molecular dynamics (MREMD) method. The multiplexed variant (MREMD) of the RE method, developed by Rhee and Pande, differs from the original RE method in that several trajectories are run at a given temperature. Each set of trajectories run at a different temperature constitutes a layer. Exchanges are attempted not only within a single layer but also between layers. The code has been parallelized and scales up to 4000 processors. We present a comparison of canonical MD, REMD, and MREMD simulations of protein folding with the UNRES force-field. We demonstrate that the multiplexed procedure increases the power of replica exchange MD considerably and convergence of the thermodynamic quantities is achieved much faster. PMID:20161452

Characterization of an induced pressure pumping force for microfluidics

NASA Astrophysics Data System (ADS)

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

2017-05-01

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

Disaggregation and separation dynamics of magnetic particles in a microfluidic flow under an alternating gradient magnetic field

NASA Astrophysics Data System (ADS)

Cao, Quanliang; Li, Zhenhao; Wang, Zhen; Qi, Fan; Han, Xiaotao

2018-05-01

How to prevent particle aggregation in the magnetic separation process is of great importance for high-purity separation, while it is a challenging issue in practice. In this work, we report a novel method to solve this problem for improving the selectivity of size-based separation by use of a gradient alternating magnetic field. The specially designed magnetic field is capable of dynamically adjusting the magnetic field direction without changing the direction of magnetic gradient force acting on the particles. Using direct numerical simulations, we show that particles within a certain center-to-center distance are inseparable under a gradient static magnetic field since they are easy aggregated and then start moving together. By contrast, it has been demonstrated that alternating repulsive and attractive interaction forces between particles can be generated to avoid the formation of aggregations when the alternating gradient magnetic field with a given alternating frequency is applied, enabling these particles to be continuously separated based on size-dependent properties. The proposed magnetic separation method and simulation results have the significance for fundamental understanding of particle dynamic behavior and improving the separation efficiency.

Brownian dynamics study of ion transport in the vestibule of membrane channels.

PubMed

Li, S C; Hoyles, M; Kuyucak, S; Chung, S H

1998-01-01

Brownian dynamics simulations have been carried out to study the transport of ions in a vestibular geometry, which offers a more realistic shape for membrane channels than cylindrical tubes. Specifically, we consider a torus-shaped channel, for which the analytical solution of Poisson's equation is possible. The system is composed of the toroidal channel, with length and radius of the constricted region of 80 A and 4 A, respectively, and two reservoirs containing 50 sodium ions and 50 chloride ions. The positions of each of these ions executing Brownian motion under the influence of a stochastic force and a systematic electric force are determined at discrete time steps of 50 fs for up to 2.5 ns. All of the systematic forces acting on an ion due to the other ions, an external electric field, fixed charges in the channel protein, and the image charges induced at the water-protein boundary are explicitly included in the calculations. We find that the repulsive dielectric force arising from the induced surface charges plays a dominant role in channel dynamics. It expels an ion from the vestibule when it is deliberately put in it. Even in the presence of an applied electric potential of 100 mV, an ion cannot overcome this repulsive force and permeate the channel. Only when dipoles of a favorable orientation are placed along the sides of the transmembrane segment can an ion traverse the channel under the influence of a membrane potential. When the strength of the dipoles is further increased, an ion becomes detained in a potential well, and the driving force provided by the applied field is not sufficient to drive the ion out of the well. The trajectory of an ion navigating across the channel mostly remains close to the central axis of the pore lumen. Finally, we discuss the implications of these findings for the transport of ions across the membrane.

Effects of Traveling Magnetic Field on Dynamics of Solidification

NASA Technical Reports Server (NTRS)

2003-01-01

The Lorentz body force induced in electrically conducting fluids can be utilized for a number of materials processing technologies. An application of strong static magnetic fields can be beneficial for damping convection present during solidification. On the other hand, alternating magnetic fields can be used to reduce as well as to enhance convection. However, only special types of time dependent magnetic fields can induce a non-zero time averaged Lorentz force needed for convection control. One example is the rotating magnetic field. This field configuration induces a swirling flow in circular containers. Another example of a magnetic field configuration is the traveling magnetic field (TMF). It utilizes axisymmetric magnetostatic waves. This type of field induces an axial recirculating flow that can be advantageous for controlling axial mass transport, such as during solidification in long cylindrical tubes. Incidentally, this is the common geometry for crystal growth research. The Lorentz force induced by TMF can potentially counter-balance the buoyancy force, diminishing natural convection, or even setting up the flow in reverse direction. Crystal growth process in presence of TMF can be then significantly modified. Such properties as the growth rate, interface shape and macro segregation can be affected and optimized. Melt homogenization is the other potential application of TMF. It is a necessary step prior to solidification. TMF can be attractive for this purpose, as it induces a basic flow along the axis of the ampoule. TMF can be a practical alloy mixing method especially suited for solidification research in space. In the theoretical part of this work, calculations of the induced Lorentz force in the whole frequency range have been completed. The basic flow characteristics for the finite cylinder geometry are completed and first results on stability analysis for higher Reynolds numbers are obtained. A theoretical model for TMF mixing is also developed. In the experimental part, measurements of flow induced by TMF in a column of mercury (Hg) are presented. Also, an alloy mixing of Bi-Sn of the eutectic composition is demonstrated. A traveling magnetic field of 4mT at 3kHz applied for 120 minutes is found to be sufficient to homogenize an alloy enclosed in a 1cm diameter and 12 cm long tube.

The effect of PeakForce tapping mode AFM imaging on the apparent shape of surface nanobubbles.

PubMed

Walczyk, Wiktoria; Schön, Peter M; Schönherr, Holger

2013-05-08

Until now, TM AFM (tapping mode or intermittent contact mode atomic force microscopy) has been the most often applied direct imaging technique to analyze surface nanobubbles at the solid-aqueous interface. While the presence and number density of nanobubbles can be unequivocally detected and estimated, it remains unclear how much the a priori invasive nature of AFM affects the apparent shapes and dimensions of the nanobubbles. To be able to successfully address the unsolved questions in this field, the accurate knowledge of the nanobubbles' dimensions, radii of curvature etc is necessary. In this contribution we present a comparative study of surface nanobubbles on HOPG (highly oriented pyrolytic graphite) in water acquired with (i) TM AFM and (ii) the recently introduced PFT (PeakForce tapping) mode, in which the force exerted on the nanobubbles rather than the amplitude of the resonating cantilever is used as the AFM feedback parameter during imaging. In particular, we analyzed how the apparent size and shape of nanobubbles depend on the maximum applied force in PFT AFM. Even for forces as small as 73 pN, the nanobubbles appeared smaller than their true size, which was estimated from an extrapolation of the bubble height to zero applied force. In addition, the size underestimation was found to be more pronounced for larger bubbles. The extrapolated true nanoscopic contact angles for nanobubbles on HOPG, measured in PFT AFM, ranged from 145° to 175° and were only slightly underestimated by scanning with non-zero forces. This result was comparable to the nanoscopic contact angles of 160°-175° measured using TM AFM in the same set of experiments. Both values disagree, in accordance with the literature, with the macroscopic contact angle of water on HOPG, measured here to be 63° ± 2°.

An efficient and economical way to enhance the performance of present HTS Maglev systems by utilizing the anisotropy property of bulk superconductors

NASA Astrophysics Data System (ADS)

Deng, Zigang; Wang, Jiasu; Zheng, Jun; Zhang, Ya; Wang, Suyu

2013-02-01

We report a simple, efficient and economical way to enhance the levitation or guidance performance of present high-temperature superconducting (HTS) Maglev systems by exploring the anisotropic properties of the critical current density in the a-b plane and along the c-axis of bulk superconductors. In the method, the bulk laying mode with different c-axis directions is designed to match with the magnetic field configuration of the applied permanent magnet guideway (PMG). Experimental results indicate that more than a factor of two improvement in the levitation force or guidance force is achieved when changing the laying mode of bulk superconductors from the traditional fashion of keeping the c-axis vertical to the PMG surface to the studied one of keeping the c-axis parallel to the PMG surface, at the maximum horizontal and vertical magnetic field positions of the PMG, respectively. These phenomena resulted from the physical nature of the generated levitation force and guidance force (electromagnetic forces) and the fact that there are different critical current densities in the a-b plane and along the c axis. Based on the experimental results, new HTS Maglev systems can be designed to meet the requirements of practical heavy-load or curved-route applications.

Perspective: Mechanochemistry of biological and synthetic molecules

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

Makarov, Dmitrii E., E-mail: makarov@cm.utexas.edu

Coupling of mechanical forces and chemical transformations is central to the biophysics of molecular machines, polymer chemistry, fracture mechanics, tribology, and other disciplines. As a consequence, the same physical principles and theoretical models should be applicable in all of those fields; in fact, similar models have been invoked (and often repeatedly reinvented) to describe, for example, cell adhesion, dry and wet friction, propagation of cracks, and action of molecular motors. This perspective offers a unified view of these phenomena, described in terms of chemical kinetics with rates of elementary steps that are force dependent. The central question is then tomore » describe how the rate of a chemical transformation (and its other measurable properties such as the transition path) depends on the applied force. I will describe physical models used to answer this question and compare them with experimental measurements, which employ single-molecule force spectroscopy and which become increasingly common. Multidimensionality of the underlying molecular energy landscapes and the ensuing frequent misalignment between chemical and mechanical coordinates result in a number of distinct scenarios, each showing a nontrivial force dependence of the reaction rate. I will discuss these scenarios, their commonness (or its lack), and the prospects for their experimental validation. Finally, I will discuss open issues in the field.« less

Electromagnetic panel deployment and retraction using the geomagnetic field in LEO satellite missions

NASA Astrophysics Data System (ADS)

Inamori, Takaya; Sugawara, Yoshiki; Satou, Yasutaka

2015-12-01

Increasingly, spacecraft are installed with large-area structures that are extended and deployed post-launch. These extensible structures have been applied in several missions for power generation, thermal radiation, and solar propulsion. Here, we propose a deployment and retraction method using the electromagnetic force generated when the geomagnetic field interacts with electric current flowing on extensible panels. The panels are installed on a satellite in low Earth orbit. Specifically, electrical wires placed on the extensible panels generate magnetic moments, which interfere with the geomagnetic field. The resulting repulsive and retraction forces enable panel deployment and retraction. In the proposed method, a satellite realizes structural deployment using simple electrical wires. Furthermore, the satellite can achieve not only deployment but also retraction for avoiding damage from space debris and for agile attitude maneuvers. Moreover, because the proposed method realizes quasi-static deployment and the retraction of panels by electromagnetic forces, low impulsive force is exerted on fragile panels. The electrical wires can also be used to detect the panel deployment and retraction and generate a large magnetic moment for attitude control. The proposed method was assessed in numerical simulations based on multibody dynamics. Simulation results shows that a small cubic satellite with a wire current of 25 AT deployed 4 panels (20 cm × 20 cm) in 500 s and retracted 4 panels in 100 s.

How to deal with multiple binding poses in alchemical relative protein-ligand binding free energy calculations.

PubMed

Kaus, Joseph W; Harder, Edward; Lin, Teng; Abel, Robert; McCammon, J Andrew; Wang, Lingle

2015-06-09

Recent advances in improved force fields and sampling methods have made it possible for the accurate calculation of protein–ligand binding free energies. Alchemical free energy perturbation (FEP) using an explicit solvent model is one of the most rigorous methods to calculate relative binding free energies. However, for cases where there are high energy barriers separating the relevant conformations that are important for ligand binding, the calculated free energy may depend on the initial conformation used in the simulation due to the lack of complete sampling of all the important regions in phase space. This is particularly true for ligands with multiple possible binding modes separated by high energy barriers, making it difficult to sample all relevant binding modes even with modern enhanced sampling methods. In this paper, we apply a previously developed method that provides a corrected binding free energy for ligands with multiple binding modes by combining the free energy results from multiple alchemical FEP calculations starting from all enumerated poses, and the results are compared with Glide docking and MM-GBSA calculations. From these calculations, the dominant ligand binding mode can also be predicted. We apply this method to a series of ligands that bind to c-Jun N-terminal kinase-1 (JNK1) and obtain improved free energy results. The dominant ligand binding modes predicted by this method agree with the available crystallography, while both Glide docking and MM-GBSA calculations incorrectly predict the binding modes for some ligands. The method also helps separate the force field error from the ligand sampling error, such that deviations in the predicted binding free energy from the experimental values likely indicate possible inaccuracies in the force field. An error in the force field for a subset of the ligands studied was identified using this method, and improved free energy results were obtained by correcting the partial charges assigned to the ligands. This improved the root-mean-square error (RMSE) for the predicted binding free energy from 1.9 kcal/mol with the original partial charges to 1.3 kcal/mol with the corrected partial charges.

How To Deal with Multiple Binding Poses in Alchemical Relative Protein–Ligand Binding Free Energy Calculations

PubMed Central

2016-01-01

Recent advances in improved force fields and sampling methods have made it possible for the accurate calculation of protein–ligand binding free energies. Alchemical free energy perturbation (FEP) using an explicit solvent model is one of the most rigorous methods to calculate relative binding free energies. However, for cases where there are high energy barriers separating the relevant conformations that are important for ligand binding, the calculated free energy may depend on the initial conformation used in the simulation due to the lack of complete sampling of all the important regions in phase space. This is particularly true for ligands with multiple possible binding modes separated by high energy barriers, making it difficult to sample all relevant binding modes even with modern enhanced sampling methods. In this paper, we apply a previously developed method that provides a corrected binding free energy for ligands with multiple binding modes by combining the free energy results from multiple alchemical FEP calculations starting from all enumerated poses, and the results are compared with Glide docking and MM-GBSA calculations. From these calculations, the dominant ligand binding mode can also be predicted. We apply this method to a series of ligands that bind to c-Jun N-terminal kinase-1 (JNK1) and obtain improved free energy results. The dominant ligand binding modes predicted by this method agree with the available crystallography, while both Glide docking and MM-GBSA calculations incorrectly predict the binding modes for some ligands. The method also helps separate the force field error from the ligand sampling error, such that deviations in the predicted binding free energy from the experimental values likely indicate possible inaccuracies in the force field. An error in the force field for a subset of the ligands studied was identified using this method, and improved free energy results were obtained by correcting the partial charges assigned to the ligands. This improved the root-mean-square error (RMSE) for the predicted binding free energy from 1.9 kcal/mol with the original partial charges to 1.3 kcal/mol with the corrected partial charges. PMID:26085821

Layering of inertial confinement fusion targets in microgravity environments

NASA Astrophysics Data System (ADS)

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

1995-02-01

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

Quantization and instability of the damped harmonic oscillator subject to a time-dependent force

NASA Astrophysics Data System (ADS)

Majima, H.; Suzuki, A.

2011-12-01

We consider the one-dimensional motion of a particle immersed in a potential field U(x) under the influence of a frictional (dissipative) force linear in velocity ( -γẋ) and a time-dependent external force ( K(t)). The dissipative system subject to these forces is discussed by introducing the extended Bateman's system, which is described by the Lagrangian: ℒ=mẋẏ-U(x+{1}/{2}y)+U(x-{1}/{2}y)+{γ}/{2}(xẏ-yẋ)-xK(t)+yK(t), which leads to the familiar classical equations of motion for the dissipative (open) system. The equation for a variable y is the time-reversed of the x motion. We discuss the extended Bateman dual Lagrangian and Hamiltonian by setting U(x±y/2)={1}/{2}k( specifically for a dual extended damped-amplified harmonic oscillator subject to the time-dependent external force. We show the method of quantizing such dissipative systems, namely the canonical quantization of the extended Bateman's Hamiltonian ℋ. The Heisenberg equations of motion utilizing the quantized Hamiltonian ℋ̂ surely lead to the equations of motion for the dissipative dynamical quantum systems, which are the quantum analog of the corresponding classical systems. To discuss the stability of the quantum dissipative system due to the influence of an external force K(t) and the dissipative force, we derived a formula for transition amplitudes of the dissipative system with the help of the perturbation analysis. The formula is specifically applied for a damped-amplified harmonic oscillator subject to the impulsive force. This formula is used to study the influence of dissipation such as the instability due to the dissipative force and/or the applied impulsive force.

Offline decoding of end-point forces using neural ensembles: application to a brain-machine interface.

PubMed

Gupta, Rahul; Ashe, James

2009-06-01

Brain-machine interfaces (BMIs) hold a lot of promise for restoring some level of motor function to patients with neuronal disease or injury. Current BMI approaches fall into two broad categories--those that decode discrete properties of limb movement (such as movement direction and movement intent) and those that decode continuous variables (such as position and velocity). However, to enable the prosthetic devices to be useful for common everyday tasks, precise control of the forces applied by the end-point of the prosthesis (e.g., the hand) is also essential. Here, we used linear regression and Kalman filter methods to show that neural activity recorded from the motor cortex of the monkey during movements in a force field can be used to decode the end-point forces applied by the subject successfully and with high fidelity. Furthermore, the models exhibit some generalization to novel task conditions. We also demonstrate how the simultaneous prediction of kinematics and kinetics can be easily achieved using the same framework, without any degradation in decoding quality. Our results represent a useful extension of the current BMI technology, making dynamic control of a prosthetic device a distinct possibility in the near future.

B-spline tight frame based force matching method

NASA Astrophysics Data System (ADS)

Yang, Jianbin; Zhu, Guanhua; Tong, Dudu; Lu, Lanyuan; Shen, Zuowei

2018-06-01

In molecular dynamics simulations, compared with popular all-atom force field approaches, coarse-grained (CG) methods are frequently used for the rapid investigations of long time- and length-scale processes in many important biological and soft matter studies. The typical task in coarse-graining is to derive interaction force functions between different CG site types in terms of their distance, bond angle or dihedral angle. In this paper, an ℓ1-regularized least squares model is applied to form the force functions, which makes additional use of the B-spline wavelet frame transform in order to preserve the important features of force functions. The B-spline tight frames system has a simple explicit expression which is useful for representing our force functions. Moreover, the redundancy of the system offers more resilience to the effects of noise and is useful in the case of lossy data. Numerical results for molecular systems involving pairwise non-bonded, three and four-body bonded interactions are obtained to demonstrate the effectiveness of our approach.

Thirty-Day Results for the Kelly Air Force Base Compressed Work Week Survey

DTIC Science & Technology

1992-11-01

Gummer, B. All that stresses does not strain: Job satisfaction, morale and turnover. Administration in Social Work, 3, 489-494, 1979. 5. Ivancevich , J.M...and Lyon , H.L. The shortened workweek: A field experi- ment. Journal of Applied Psychology, 62 (1), 34-37, 1977. 6. Latick, J.C. and Foster, L.W

Reading Hertz's Own Dipole Theory

ERIC Educational Resources Information Center

Anicin, B. A.

2008-01-01

It is well known that the discoverer of radio waves, Heinrich Hertz, was the first man to apply Maxwell's electrodynamic theory to a problem in radio wave propagation. In this paper, we scrutinize his near-field lines of force using computers and his theory. In one of his four figures, a feature was found which was not to be obtained by…

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.

Biased-probe-induced water ion injection into amorphous polymers investigated by electric force microscopy

NASA Astrophysics Data System (ADS)

Knorr, Nikolaus; Rosselli, Silvia; Miteva, Tzenka; Nelles, Gabriele

2009-06-01

Although charging of insulators by atomic force microscopy (AFM) has found widespread interest, often with data storage or nanoxerography in mind, less attention has been paid to the charging mechanism and the nature of the charge. Here we present a systematic study on charging of amorphous polymer films by voltage pulses applied to conducting AFM probes. We find a quadratic space charge limited current law of Kelvin probe force microscopy and electrostatic force microscopy peak volumes in pulse height, offset by a threshold voltage, and a power law in pulse width of positive exponents smaller than one. We interpret the results by a charging mechanism of injection and surface near accumulation of aqueous ions stemming from field induced water adsorption, with threshold voltages linked to the water affinities of the polymers.

Multiphase-field model of small strain elasto-plasticity according to the mechanical jump conditions

NASA Astrophysics Data System (ADS)

Herrmann, Christoph; Schoof, Ephraim; Schneider, Daniel; Schwab, Felix; Reiter, Andreas; Selzer, Michael; Nestler, Britta

2018-04-01

We introduce a small strain elasto-plastic multiphase-field model according to the mechanical jump conditions. A rate-independent J_2 -plasticity model with linear isotropic hardening and without kinematic hardening is applied exemplary. Generally, any physically nonlinear mechanical model is compatible with the subsequently presented procedure. In contrast to models with interpolated material parameters, the proposed model is able to apply different nonlinear mechanical constitutive equations for each phase separately. The Hadamard compatibility condition and the static force balance are employed as homogenization approaches to calculate the phase-inherent stresses and strains. Several verification cases are discussed. The applicability of the proposed model is demonstrated by simulations of the martensitic transformation and quantitative parameters.

Electrokinetic motion of a rectangular nanoparticle in a nanochannel

NASA Astrophysics Data System (ADS)

Movahed, Saeid; Li, Dongqing

2012-08-01

This article presents a theoretical study of electrokinetic motion of a negatively charged cubic nanoparticle in a three-dimensional nanochannel with a circular cross-section. Effects of the electrophoretic and the hydrodynamic forces on the nanoparticle motion are examined. Because of the large applied electric field over the nanochannel, the impact of the Brownian force is negligible in comparison with the electrophoretic and the hydrodynamic forces. The conventional theories of electrokinetics such as the Poisson-Boltzmann equation and the Helmholtz-Smoluchowski slip velocity approach are no longer applicable in the small nanochannels. In this study, and at each time step, first, a set of highly coupled partial differential equations including the Poisson-Nernst-Plank equation, the Navier-Stokes equations, and the continuity equation was solved to find the electric potential, ionic concentration field, and the flow field around the nanoparticle. Then, the electrophoretic and hydrodynamic forces acting on the negatively charged nanoparticle were determined. Following that, the Newton second law was utilized to find the velocity of the nanoparticle. Using this model, effects of surface electric charge of the nanochannel, bulk ionic concentration, the size of the nanoparticle, and the radius of the nanochannel on the nanoparticle motion were investigated. Increasing the bulk ionic concentration or the surface charge of the nanochannel will increase the electroosmotic flow, and hence affect the particle's motion. It was also shown that, unlike microchannels with thin EDL, the change in nanochannel size will change the EDL field and the ionic concentration field in the nanochannel, affecting the particle's motion. If the nanochannel size is fixed, a larger particle will move faster than a smaller particle under the same conditions.

Improved model of hydrated calcium ion for molecular dynamics simulations using classical biomolecular force fields.

PubMed

Yoo, Jejoong; Wilson, James; Aksimentiev, Aleksei

2016-10-01

Calcium ions (Ca(2+) ) play key roles in various fundamental biological processes such as cell signaling and brain function. Molecular dynamics (MD) simulations have been used to study such interactions, however, the accuracy of the Ca(2+) models provided by the standard MD force fields has not been rigorously tested. Here, we assess the performance of the Ca(2+) models from the most popular classical force fields AMBER and CHARMM by computing the osmotic pressure of model compounds and the free energy of DNA-DNA interactions. In the simulations performed using the two standard models, Ca(2+) ions are seen to form artificial clusters with chloride, acetate, and phosphate species; the osmotic pressure of CaAc2 and CaCl2 solutions is a small fraction of the experimental values for both force fields. Using the standard parameterization of Ca(2+) ions in the simulations of Ca(2+) -mediated DNA-DNA interactions leads to qualitatively wrong outcomes: both AMBER and CHARMM simulations suggest strong inter-DNA attraction whereas, in experiment, DNA molecules repel one another. The artificial attraction of Ca(2+) to DNA phosphate is strong enough to affect the direction of the electric field-driven translocation of DNA through a solid-state nanopore. To address these shortcomings of the standard Ca(2+) model, we introduce a custom model of a hydrated Ca(2+) ion and show that using our model brings the results of the above MD simulations in quantitative agreement with experiment. Our improved model of Ca(2+) can be readily applied to MD simulations of various biomolecular systems, including nucleic acids, proteins and lipid bilayer membranes. © 2016 Wiley Periodicals, Inc. Biopolymers 105: 752-763, 2016. © 2016 Wiley Periodicals, Inc.

Measurement of circulation around wing-tip vortices and estimation of lift forces using stereo PIV

NASA Astrophysics Data System (ADS)

Asano, Shinichiro; Sato, Haru; Sakakibara, Jun

2017-11-01

Applying the flapping flight to the development of an aircraft as Mars space probe and a small aircraft called MAV (Micro Air Vehicle) is considered. This is because Reynolds number assumed as the condition of these aircrafts is low and similar to of insects and small birds flapping on the earth. However, it is difficult to measure the flow around the airfoil in flapping flight directly because of its three-dimensional and unsteady characteristics. Hence, there is an attempt to estimate the flow field and aerodynamics by measuring the wake of the airfoil using PIV, for example the lift estimation method based on a wing-tip vortex. In this study, at the angle of attack including the angle after stall, we measured the wing-tip vortex of a NACA 0015 cross-sectional and rectangular planform airfoil using stereo PIV. The circulation of the wing-tip vortex was calculated from the obtained velocity field, and the lift force was estimated based on Kutta-Joukowski theorem. Then, the validity of this estimation method was examined by comparing the estimated lift force and the force balance data at various angles of attack. The experiment results are going to be presented in the conference.

Electromagnetic Radial Forces in a Hybrid Eight-Stator-Pole, Six-Rotor-Pole Bearingless Switched-Reluctance Motor

NASA Technical Reports Server (NTRS)

Morrison, Carlos R.; Siebert, Mark W.; Ho, Eric J.

2007-01-01

Analysis and experimental measurement of the electromagnet force loads on the hybrid rotor in a novel bearingless switched-reluctance motor (BSRM) have been performed. A BSRM has the combined characteristics of a switched-reluctance motor and a magnetic bearing. The BSRM has an eight-pole stator and a six-pole hybrid rotor, which is composed of circular and scalloped lamination segments. The hybrid rotor is levitated using only one set of stator poles. A second set of stator poles imparts torque to the scalloped portion of the rotor, which is driven in a traditional switched reluctance manner by a processor. Analysis was done for nonrotating rotor poles that were oriented to achieve maximum and minimum radial force loads on the rotor. The objective is to assess whether simple one-dimensional magnetic circuit analysis is sufficient for preliminary evaluation of this machine, which may exhibit strong three-dimensional electromagnetic field behavior. Two magnetic circuit geometries, approximating the complex topology of the magnetic fields in and around the hybrid rotor, were employed in formulating the electromagnetic radial force equations. Reasonable agreement between the experimental results and the theoretical predictions was obtained with typical magnetic bearing derating factors applied to the predictions.

Magnetic domain wall tweezers: a new tool for mechanobiology studies on individual target cells.

PubMed

Monticelli, M; Conca, D V; Albisetti, E; Torti, A; Sharma, P P; Kidiyoor, G; Barozzi, S; Parazzoli, D; Ciarletta, P; Lupi, M; Petti, D; Bertacco, R

2016-08-07

In vitro tests are of fundamental importance for investigating cell mechanisms in response to mechanical stimuli or the impact of the genotype on cell mechanical properties. In particular, the application of controlled forces to activate specific bio-pathways and investigate their effects, mimicking the role of the cellular environment, is becoming a prominent approach in the emerging field of mechanobiology. Here, we present an on-chip device based on magnetic domain wall manipulators, which allows the application of finely controlled and localized forces on target living cells. In particular, we demonstrate the application of a magnetic force in the order of hundreds of pN on the membrane of HeLa cells cultured on-chip, via manipulation of 1 μm superparamagnetic beads. Such a mechanical stimulus produces a sizable local indentation of the cellular membrane of about 2 μm. Upon evaluation of the beads' position within the magnetic field originated by the domain wall, the force applied during the experiments is accurately quantified via micromagnetic simulations. The obtained value is in good agreement with that calculated by the application of an elastic model to the cellular membrane.

Forces acting between polishing tool and workpiece surface in magnetorheological finishing

NASA Astrophysics Data System (ADS)

Schinhaerl, Markus; Vogt, Christian; Geiss, Andreas; Stamp, Richard; Sperber, Peter; Smith, Lyndon; Smith, Gordon; Rascher, Rolf

2008-08-01

Magnetorheological finishing is a computer-controlled polishing technique that is used mainly in the field of high-quality optical lens production. The process is based on the use of a magnetorheological polishing fluid that is able, in a reversible manner, to change its viscosity from a liquid state to a solid state under the control of a magnetic field. This outstanding characteristic facilitates rapid control (in milliseconds) of the yield stress, and thus the pressure applied to the workpiece surface to be polished. A three-axis dynamometer was used to measure the forces acting between the magnetorheological fluid and the workpiece surface during determination of the material removal characteristic of the polishing tool (influence function). The results of a testing series using a QED Q22-X MRF polishing machine with a 50 mm wheel assembly show that the normal forces range from about 2 to 20 N. Knowledge of the forces is essential, especially when thin workpieces are to be polished and distortion becomes significant. This paper discusses, and gives examples of, the variation in the parameters experienced during a programme of experiments, and provides examples of the value of this work.

Oscillatory magnetic tweezers based on ferromagnetic beads and simple coaxial coils

NASA Astrophysics Data System (ADS)

Trepat, Xavier; Grabulosa, Mireia; Buscemi, Lara; Rico, Fèlix; Fabry, Ben; Fredberg, Jeffrey J.; Farré, Ramon

2003-09-01

We report the design and validation of simple magnetic tweezers for oscillating ferromagnetic beads in the piconewton and nanometer scales. The system is based on a single pair of coaxial coils operating in two sequential modes: permanent magnetization of the beads through a large and brief pulse of magnetic field and generation of magnetic gradients to produce uniaxial oscillatory forces. By using this two step method, the magnetic moment of the beads remains constant during measurements. Therefore, the applied force can be computed and varies linearly with the driving signal. No feedback control is required to produce well defined force oscillations over a wide bandwidth. The design of the coils was optimized to obtain high magnetic fields (280 mT) and gradients (2 T/m) with high homogeneity (5% variation) within the sample. The magnetic tweezers were implemented in an inverted optical microscope with a videomicroscopy-based multiparticle tracking system. The apparatus was validated with 4.5 μm magnetite beads obtaining forces up to ˜2 pN and subnanometer resolution. The applicability of the device includes microrheology of biopolymer and cell cytoplasm, molecular mechanics, and mechanotransduction in living cells.

Experimental and Computational Studies of the Control of Convection of Non-Conducting Liquids During solidification by Means of a Magnetic Field Gradient

NASA Technical Reports Server (NTRS)

Seybert, C. D.; Evans, J. W.; Leslie, F.; Jones, W. K., Jr.

2001-01-01

The elimination of convection is essential in experimental investigations of diffusive transport (of heat and matter) during solidification. One classical approach to damping convection in a conducting liquid is the application of a magnetic field. The damping phenomenon is the induction, by the motion of a conductor in a magnetic field, of currents which interact with the field to produce Lorentz forces that oppose the flow. However, there are many liquids which are not sufficiently conducting to exploit this phenomenon; examples include the transparent liquids (such as succinonitrile-acetone) that are used as "model alloys" in fundamental solidification studies. There have been several investigations of the solidification of these liquids that have been carried out in orbiting laboratories to eliminate natural convection. The paper describes an investigation of an alternative approach whereby a magnetic field gradient is applied to the liquid. A magnetic body force then arises which is dependent on the susceptibility of the liquid and thereby on the temperature and or concentration. With the field gradient aligned vertically and of correct magnitude, the variation of gravitational body force due to temperature/concentration dependent density can be counterbalanced by a variation in magnetic body force. Experiments have been carried out in a super-conducting magnet at Marshall Space Flight Center to measure velocities in an aqueous manganese chloride solution. The solution was contained in a chamber with temperature controlled end walls and glass side walls. Velocities were measured by particle image velocimetry. Starting from zero current in the magnet (zero field gradient) flow driven by the temperature difference between the end walls was measured. At a critical current the flow was halted. At higher currents the normal convection was reversed. The experiments included ones where the solution was solidified and were accompanied by solution of the flow/transport equations using the software package FLUENT.

Lateral separation of colloids or cells by dielectrophoresis augmented by AC electroosmosis.

PubMed

Zhou, Hao; White, Lee R; Tilton, Robert D

2005-05-01

Colloidal particles and biological cells are patterned and separated laterally adjacent to a micropatterned electrode array by applying AC electric fields that are principally oriented normally to the electrode array. This is demonstrated for yeast cells, red blood cells, and colloidal polystyrene particles of different sizes and zeta-potentials. The separation mechanism is observed experimentally to depend on the applied field frequency and voltage. At high frequencies, particles position themselves in a manner that is consistent with dielectrophoresis, while at low frequencies, the positioning is explained in terms of a strong coupling between gravity, the vertical component of the dielectrophoretic force, and the Stokes drag on particles induced by AC electroosmotic flow. Compared to high frequency dielectrophoretic separations, the low frequency separations are faster and require lower applied voltages. Furthermore, the AC electroosmosis coupling with dielectrophoresis may enable cell separations that are not feasible based on dielectrophoresis alone.

Relativistic theory of tidal Love numbers

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

Binnington, Taylor; Poisson, Eric

In Newtonian gravitational theory, a tidal Love number relates the mass multipole moment created by tidal forces on a spherical body to the applied tidal field. The Love number is dimensionless, and it encodes information about the body's internal structure. We present a relativistic theory of Love numbers, which applies to compact bodies with strong internal gravities; the theory extends and completes a recent work by Flanagan and Hinderer, which revealed that the tidal Love number of a neutron star can be measured by Earth-based gravitational-wave detectors. We consider a spherical body deformed by an external tidal field, and providemore » precise and meaningful definitions for electric-type and magnetic-type Love numbers; and these are computed for polytropic equations of state. The theory applies to black holes as well, and we find that the relativistic Love numbers of a nonrotating black hole are all zero.« less

Tunable electronic and magnetic properties of two-dimensional materials and their one-dimensional derivatives.

PubMed

Zhang, Zhuhua; Liu, Xiaofei; Yu, Jin; Hang, Yang; Li, Yao; Guo, Yufeng; Xu, Ying; Sun, Xu; Zhou, Jianxin; Guo, Wanlin

2016-01-01

Low-dimensional materials exhibit many exceptional properties and functionalities which can be efficiently tuned by externally applied force or fields. Here we review the current status of research on tuning the electronic and magnetic properties of low-dimensional carbon, boron nitride, metal-dichalcogenides, phosphorene nanomaterials by applied engineering strain, external electric field and interaction with substrates, etc, with particular focus on the progress of computational methods and studies. We highlight the similarities and differences of the property modulation among one- and two-dimensional nanomaterials. Recent breakthroughs in experimental demonstration of the tunable functionalities in typical nanostructures are also presented. Finally, prospective and challenges for applying the tunable properties into functional devices are discussed. WIREs Comput Mol Sci 2016, 6:324-350. doi: 10.1002/wcms.1251 For further resources related to this article, please visit the WIREs website. The authors have declared no conflicts of interest for this article.

Electrowetting of Weak Polyelectrolyte-Coated Surfaces.

PubMed

Sénéchal, Vincent; Saadaoui, Hassan; Rodriguez-Hernandez, Juan; Drummond, Carlos

2017-05-23

Polymer coatings are commonly used to modify interfacial properties like wettability, lubrication, or biocompatibility. These properties are determined by the conformation of polymer molecules at the interface. Polyelectrolytes are convenient elementary bricks to build smart materials, given that polyion chain conformation is very sensitive to different environmental variables. Here we discuss the effect of an applied electric field on the properties of surfaces coated with poly(acrylic acid) brushes. By combining atomic force microscopy, quartz crystal microbalance, and contact angle experiments, we show that it is possible to precisely tune polyion chain conformation, surface adhesion, and surface wettability using very low applied voltages if the polymer grafting density and environmental conditions (pH and ionic strength) are properly formulated. Our results indicate that the effective ionization degree of the grafted weak polyacid can be finely controlled with the externally applied field, with important consequences for the macroscopic surface properties.

The Optical Bichromatic Force in Molecular Systems

NASA Astrophysics Data System (ADS)

Aldridge, Leland; Galica, Scott; Eyler, E. E.

2015-05-01

The optical bichromatic force has been demonstrated to be useful for slowing atomic beams much more rapidly than radiative forces. Through numerical simulations, we examine several aspects of applying the bichromatic force to molecular beams. One is the unavoidable existence of out-of-system radiative decay, requiring one or more repumping beams. We find that the average deceleration varies strongly with the repumping intensity, but when using optimal parameters, the force approaches the limiting value allowed by population statistics. Another consideration is the effect of fine and hyperfine structure. We examine a simplified multlevel model based on the B <--> X transition in calcium monofluoride. To circumvent optical pumping into coherent dark states, we include two possible schemes: (1) a skewed dc magnetic field, and (2) rapid optical polarization switching. Our results indicate that the bichromatic force remains a viable option for creating large forces in molecular beams, with a reduction in the peak force by approximately an order of magnitude compared to a two-level atom, but little effect on the velocity range over which the force is effective. We also describe our progress towards experimental tests of the bichromatic force on a molecular beam of CaF. Supported by the National Science Foundation.

Enhanced collective focusing of intense neutralized ion beam pulses in the presence of weak solenoidal magnetic fields

DOE PAGES

Dorf, Mikhail A.; Davidson, Ronald C.; Kaganovich, Igor D.; ...

2012-05-31

In this study, the design of ion drivers for warm dense matter and high energy density physics applications and heavy ion fusion involves transverse focusing and longitudinal compression of intense ion beams to a small spot size on the target. To facilitate the process, the compression occurs in a long drift section filled with a dense background plasma, which neutralizes the intense beam self-fields. Typically, the ion bunch charge is better neutralized than its current, and as a result a net self-pinching (magnetic) force is produced. The self-pinching effect is of particular practical importance, and is used in various ionmore » driver designs in order to control the transverse beam envelope. In the present work we demonstrate that this radial self-focusing force can be significantly enhanced if a weak (B~100 G) solenoidal magnetic field is applied inside the neutralized drift section, thus allowing for substantially improved transport. It is shown that in contrast to magnetic self-pinching, the enhanced collective self-focusing has a radial electric field component and occurs as a result of the overcompensation of the beam charge by plasmaelectrons, whereas the beam current becomes well-neutralized. As the beam leaves the neutralizing drift section, additional transverse focusing can be applied. For instance, in the neutralized drift compression experiments (NDCX) a strong (several Tesla) final focus solenoid is used for this purpose. In the present analysis we propose that the tight final focus in the NDCX experiments may possibly be achieved by using a much weaker (few hundred Gauss) magnetic lens, provided the ion beam carries an equal amount of co-moving neutralizing electrons from the preceding drift section into the lens. In this case the enhanced focusing is provided by the collective electrondynamics strongly affected by a weak applied magnetic field.« less

Vertical motion of a charged colloidal particle near an AC polarized electrode with a nonuniform potential distribution: theory and experimental evidence.

PubMed

Fagan, Jeffrey A; Sides, Paul J; Prieve, Dennis C

2004-06-08

Electroosmotic flow in the vicinity of a colloidal particle suspended over an electrode accounts for observed changes in the average height of the particle when the electrode passes alternating current at 100 Hz. The main findings are (1) electroosmotic flow provides sufficient force to move the particle and (2) a phase shift between the purely electrical force on the particle and the particle's motion provides evidence of an E2 force acting on the particle. The electroosmotic force in this case arises from the boundary condition applied when faradaic reactions occur on the electrode. The presence of a potential-dependent electrode reaction moves the likely distribution of electrical current at the electrode surface toward uniform current density around the particle. In the presence of a particle the uniform current density is associated with a nonuniform potential; thus, the electric field around the particle has a nonzero radial component along the electrode surface, which interacts with unbalanced charge in the diffuse double layer on the electrode to create a flow pattern and impose an electroosmotic-flow-based force on the particle. Numerical solutions are presented for these additional height-dependent forces on the particle as a function of the current distribution on the electrode and for the time-dependent probability density of a charged colloidal particle near a planar electrode with a nonuniform electrical potential boundary condition. The electrical potential distribution on the electrode, combined with a phase difference between the electric field in solution and the electrode potential, can account for the experimentally observed motion of particles in ac electric fields in the frequency range from approximately 10 to 200 Hz.

Matter in the form of toroidal electromagnetic vortices

NASA Astrophysics Data System (ADS)

Hagen, Wilhelm F.

2015-09-01

The creation of charged elementary particles from neutral photons is explained as a conversion process of electromagnetic (EM) energy from linear to circular motion at the speed of light into two localized, toroidal shaped vortices of trapped EM energy that resist change of motion, perceptible as particles with inertia and hence mass. The photon can be represented as a superposition of left and right circular polarized transverse electric fields of opposite polarity originating from a common zero potential axis, the optical axis of the photon. If these components are separated by interaction with a strong field (nucleon) they would curl up into two electromagnetic vortices (EMV) due to longitudinal magnetic field components forming toroids. These vortices are perceptible as opposite charged elementary particles e+/- . These spinning toroids generate extended oscillating fields that interact with stationary field oscillations. The velocity-dependent frequency differences cause beat signals equivalent to matter waves, leading to interference. The extended fields entangled with every particle explain wave particle duality issues. Spin and magnetic moment are the natural outcome of these gyrating particles. As the energy and hence mass of the electron increases with acceleration so does its size shrink proportional to its reduced wavelength. The artificial weak and strong nuclear forces can be easily explained as different manifestations of the intermediate EM forces. The unstable neutron consists of a proton surrounded by a contracted and captured electron. The associated radial EM forces represent the weak nuclear force. The deuteron consists of two axially separated protons held together by a centrally captured electron. The axial EM forces represent the strong nuclear force, providing stability for "neutrons" only within nucleons. The same principles were applied to determine the geometries of force-balanced nuclei. The alpha-particle emerges as a very compact symmetric cuboid that provides a unique building block to assemble the isotopic chart. Exotic neutron- 4 appears viable which may explain dark matter. The recognition that all heavy particles, including the protons, are related to electrons via muons and pions explains the identity of all charges to within 10-36. Greater deviations would overpower gravitation. Gravitation can be traced to EM vacuum fluctuations generated by standing EM waves between interacting particles. On that basis, gravity can be correlated via microscopic quantities to the age of the universe of 13.5 billion years. All forces and particles and potentially dark matter and dark energy are different manifestations of EM energy.

Transmitted light relaxation and microstructure evolution of ferrofluids under gradient magnetic fields

NASA Astrophysics Data System (ADS)

Huang, Yan; Li, Decai; Li, Feng; Zhu, Quanshui; Xie, Yu

2015-03-01

Using light transmission experiments and optical microscope observations with a longitudinal gradient magnetic field configuration, the relationship between the behavior of the transmitted light relaxation and the microstructure evolution of ionic ferrofluids in the central region of an axisymmetric field is investigated. Under a low-gradient magnetic field, there are two types of relaxation process. When a field is applied, the transmitted light intensity decreases to a minimum within a time on the order of 101-102 s. It is then gradually restored, approaching its initial value within a time on the order of 102 s. This is type I relaxation, which corresponds to the formation of magnetic columns. After the transmission reaches this value, it either increases or decreases slowly, stabilizing within a time on the order of 103 s, according to the direction of the field gradient. This is a type II relaxation, which results from the shadowing effect, corresponding to the motion of the magnetic columns under the application of a gradient force. Under a magnetic field with a centripetal high-gradient (magnetic materials subjected to a force pointing toward the center of the axisymmetric field), the transmitted light intensity decreases monotonously and more slowly than that under a low-gradient field. Magnetic transport and separation resulted from magnetophoresis under high-gradient fields, changing the formation dynamics of the local columns and influencing the final state of the column system.

Improvement of the limit torque for the torque limiter with magnetic rheological fluid

NASA Astrophysics Data System (ADS)

Umehara, Noritsugu; Kita, Shizuo

Robots are coming to support and help our life. The robots that work together with human need to avoid sever hitting and holding that force is more than the adequate and comfortable range. In order to keep the force to the safe level in the robot arms, t he limit torque should be controlled on the basis of the case the robot used. Magnetic rheological fluids were tried to be used for the clutch that transmission torque can be controlled continuously because MR fluids can be controlled its viscosity by magnetic field. However those clutch devices were too heavy and large to use for the robot arms. Therefore we tried to increase the sensitivity of magnetic field to viscosity of MR fluids. By applying rough surface for the mating surface, sensitivity of the magnetic field to the shearing torque increase drastically in the case of co-axial torque meter. On the other hand, the changing of the size of the orifice is effective to increase the sensitivity of the magnetic field on the flow resistance in the case of the orifice type equipment.

Externally controlled on-demand release of anti-HIV drug using magneto-electric nanoparticles as carriers.

PubMed

Nair, Madhavan; Guduru, Rakesh; Liang, Ping; Hong, Jeongmin; Sagar, Vidya; Khizroev, Sakhrat

2013-01-01

Although highly active anti-retroviral therapy has resulted in remarkable decline in the morbidity and mortality in AIDS patients, inadequately low delivery of anti-retroviral drugs across the blood-brain barrier results in virus persistence. The capability of high-efficacy-targeted drug delivery and on-demand release remains a formidable task. Here we report an in vitro study to demonstrate the on-demand release of azidothymidine 5'-triphosphate, an anti-human immunodeficiency virus drug, from 30 nm CoFe2O4@BaTiO3 magneto-electric nanoparticles by applying a low alternating current magnetic field. Magneto-electric nanoparticles as field-controlled drug carriers offer a unique capability of field-triggered release after crossing the blood-brain barrier. Owing to the intrinsic magnetoelectricity, these nanoparticles can couple external magnetic fields with the electric forces in drug-carrier bonds to enable remotely controlled delivery without exploiting heat. Functional and structural integrity of the drug after the release was confirmed in in vitro experiments with human immunodeficiency virus-infected cells and through atomic force microscopy, spectrophotometry, Fourier transform infrared and mass spectrometry studies.

An investigation into the placement of force delivery systems and the initial forces applied by clinicians during space closure.

PubMed

Nattrass, C; Ireland, A J; Sherriff, M

1997-05-01

This in vitro investigation was designed to establish not only how clinicians apply forces for space closure when using the straight wire appliance and sliding mechanics, but also to quantify the initial force levels produced. A single typodont, with residual extraction space in each quadrant, was set up to simulate space closure using sliding mechanics. On two occasions, at least 2 months apart, 18 clinicians were asked to apply three force delivery systems to the typodont, in the manner in which they would apply it in a clinical situation. The three types of force delivery system investigated were elastomeric chain, an elastomeric module on a steel ligature, and a nickel-titanium closed coil spring. A choice of spaced or unspaced elastomeric chain produced by a single manufacturer was provided. The amount of stretch which was placed on each type of system was measured and, using an Instron Universal Testing Machine, the initial force which would be generated by each force delivery system was established. Clinicians were assessed to examine their consistency in the amount of stretch which each placed on the force delivery systems, their initial force application and their ability to apply equivalent forces with the different types of force delivery system. The clinicians were found to be consistent in their method of application of the force delivery systems and, therefore, their force application, as individuals, but there was a wide range of forces applied as a group. However, most clinicians applied very different forces when using different force delivery systems. When using the module on a ligature the greatest force was applied, whilst the nickel titanium coil springs provided the least force.

Life-space foam: A medium for motivational and cognitive dynamics

NASA Astrophysics Data System (ADS)

Ivancevic, Vladimir; Aidman, Eugene

2007-08-01

General stochastic dynamics, developed in a framework of Feynman path integrals, have been applied to Lewinian field-theoretic psychodynamics [K. Lewin, Field Theory in Social Science, University of Chicago Press, Chicago, 1951; K. Lewin, Resolving Social Conflicts, and, Field Theory in Social Science, American Psychological Association, Washington, 1997; M. Gold, A Kurt Lewin Reader, the Complete Social Scientist, American Psychological Association, Washington, 1999], resulting in the development of a new concept of life-space foam (LSF) as a natural medium for motivational and cognitive psychodynamics. According to LSF formalisms, the classic Lewinian life space can be macroscopically represented as a smooth manifold with steady force fields and behavioral paths, while at the microscopic level it is more realistically represented as a collection of wildly fluctuating force fields, (loco)motion paths and local geometries (and topologies with holes). A set of least-action principles is used to model the smoothness of global, macro-level LSF paths, fields and geometry. To model the corresponding local, micro-level LSF structures, an adaptive path integral is used, defining a multi-phase and multi-path (multi-field and multi-geometry) transition process from intention to goal-driven action. Application examples of this new approach include (but are not limited to) information processing, motivational fatigue, learning, memory and decision making.

The role of electro-osmosis and dielectrophoresis in collection of micro/nano size particles in low frequency AC electric field

NASA Astrophysics Data System (ADS)

Wei, Chehung; Hsu, Che-Wei; Wang, Ching-Chieh

2007-09-01

The collecting and sorting micro size particles by electric force is easy to integrate with other bioassays. There are many forms of electric forces such as electrophoresis, dielectrophoresis and electroosmosis which can be used to manipulate particles. In an attempt to understand the role of electroosmosis and dielectrophoresis in the collection of micro size particles, a small device made of two parallel plates is used to study the particle movement under AC electric field. The device is fabricated by a top electrode and a bottom electrode separated by a spacer. The top electrode is made from an ITO glass where the bottom electrode is made of Corning 1737 glass sputtered with chromium. A dielectric layer is fabricated by spin coating a thin photo-resist (0.5~1μm) on the bottom electrode and a spacer made of curing PDMS is utilized to separate these electrodes. A 900μm × 900μm collecting chamber is fabricated on the bottom electrode via photolithography. The amine-modified polystyrene fluorescent particles whose average size is 1 μm were used for collection experiments. Different frequency and power were applied to generate the non-uniform electric field. It was found that frequency is the critical factor for electroosmotic velocity. There seems to be an optimum frequency that leads to largest particle velocity. The underlying mechanism is believed to the competing forces among dielectrophoresis and electroosmosis. This device demonstrates that the electroosmosis force is suitable for collecting bio-particles in AC electric field.

Enhancement in ion adsorption rate and desalination efficiency in a capacitive deionization cell through improved electric field distribution using electrodes composed of activated carbon cloth coated with zinc oxide nanorods.

PubMed

Laxman, Karthik; Myint, Myo Tay Zar; Bourdoucen, Hadj; Dutta, Joydeep

2014-07-09

Electrodes composed of activated carbon cloth (ACC) coated with zinc oxide (ZnO) nanorods are compared with plain ACC electrodes, with respect to their desalination efficiency of a 17 mM NaCl solution at different applied potentials. Polarization of the ZnO nanorods increased the penetration depth and strength of the electric field between the electrodes, leading to an increase in the capacitance and charge efficiency at reduced input charge ratios. Uniform distribution of the electric field lines between two electrodes coated with ZnO nanorods led to faster ion adsorption rates, reduced the electrode saturation time, and increased the average desalination efficiency by ∼45% for all applied potentials. The electrodes were characterized for active surface area, capacitance from cyclic voltammetry, theoretical assessment of surface area utilization, and the magnitude of electric field force acting on an ion of unit charge for each potential.

Light intensity modulation by coccoliths of Emiliania huxleyi as a micro-photo-regulator.

PubMed

Mizukawa, Yuri; Miyashita, Yuito; Satoh, Manami; Shiraiwa, Yoshihiro; Iwasaka, Masakazu

2015-09-01

In this study, we present experimental evidence showing that coccoliths have light-scattering anisotropy that contributes to a possible control of solar light exposure in the ocean. Changing the angle between the incident light and an applied magnetic field causes differences in the light-scattering intensities of a suspension of coccoliths isolated from Emiliania huxleyi. The magnetic field effect is induced by the diamagnetic torque force directing the coccolith radial plane perpendicular to the applied magnetic fields at 400 to 500 mT. The developed technique reveals the light-scattering anisotropies in the 3-μm-diameter floating coccoliths by orienting themselves in response to the magnetic fields. The detached coccolith scatters radially the light incident to its radial plane. The experimental results on magnetically oriented coccoliths show that an individual coccolith has a specific direction of light scattering, although the possible physiological effect of the coccolith remains for further study, focusing on the light-scattering anisotropies of coccoliths on living cells.

Light intensity modulation by coccoliths of Emiliania huxleyi as a micro-photo-regulator

NASA Astrophysics Data System (ADS)

Mizukawa, Yuri; Miyashita, Yuito; Satoh, Manami; Shiraiwa, Yoshihiro; Iwasaka, Masakazu

2015-09-01

In this study, we present experimental evidence showing that coccoliths have light-scattering anisotropy that contributes to a possible control of solar light exposure in the ocean. Changing the angle between the incident light and an applied magnetic field causes differences in the light-scattering intensities of a suspension of coccoliths isolated from Emiliania huxleyi. The magnetic field effect is induced by the diamagnetic torque force directing the coccolith radial plane perpendicular to the applied magnetic fields at 400 to 500 mT. The developed technique reveals the light-scattering anisotropies in the 3-μm-diameter floating coccoliths by orienting themselves in response to the magnetic fields. The detached coccolith scatters radially the light incident to its radial plane. The experimental results on magnetically oriented coccoliths show that an individual coccolith has a specific direction of light scattering, although the possible physiological effect of the coccolith remains for further study, focusing on the light-scattering anisotropies of coccoliths on living cells.

Numerical simulation of flows in a circular pipe transversely subjected to a localized impulsive body force with applications to blunt traumatic aortic rupture

NASA Astrophysics Data System (ADS)

Di Labbio, G.; Keshavarz-Motamed, Z.; Kadem, L.

2017-06-01

Much debate surrounds the mechanisms responsible for the occurrence of blunt traumatic aortic rupture in car accidents, particularly on the role of the inertial body force experienced by the blood due to the abrupt deceleration. The isolated influence of such body forces acting on even simple fluid flows is a fundamental problem in fluid dynamics that has not been thoroughly investigated. This study numerically investigates the fundamental physical problem, where the pulsatile flow in a straight circular pipe is subjected to a transverse body force on a localized volume of fluid. The body force is applied as a brief rectangular impulse in three distinct cases, namely during the accelerating, peak, and decelerating phases of the pulsatile flow. A dimensionless number, termed the degree of influence of the body force (Ψ), is devised to quantify the relative strength of the body force over the flow inertia. The impact induces counter-rotating cross-stream vortices at the boundaries of the forced section accompanied by complex secondary flow structures. This secondary flow is found to develop slowest for an impact occurring during an accelerating flow and fastest during a decelerating flow. The peak skewness of the velocity field, however, occurred at successively later times for the three respective cases. After the impact, these secondary flows act to restore the unforced state and such dominant spatial structures are revealed by proper orthogonal decomposition of the velocity field. This work presents a new class of problems that requires further theoretical and experimental investigation.

Effect of Applying Force to Self-Adhesive Electrodes on Transthoracic Impedance: Implications for Electrical Cardioversion.

PubMed

Ramirez, F Daniel; Fiset, Sandra L; Cleland, Mark J; Zakutney, Timothy J; Nery, Pablo B; Nair, Girish M; Redpath, Calum J; Sadek, Mouhannad M; Birnie, David H

2016-10-01

Current guidelines disagree on the role for applying force to electrodes during electrical cardioversion (ECV) for atrial fibrillation, particularly when using self-adhesive pads. We evaluated the impact of this practice on transthoracic impedance (TTI) with varying force and in individuals with differing body mass indices (BMI). We additionally assessed whether specific prompts could improve physicians' ECV technique. The study comprised three parts: (1) TTI was measured in 11 participants throughout the respiratory cycle and with variable force applied to self-adhesive electrodes in anteroposterior (AP) and anterolateral (AL) configurations. (2) Three participants in different BMI classes then had TTI measured with prespecified incremental force applied. (3) Ten blinded cardiology trainees simulated ECV on one participant with and without prompting (guideline reminders and force analogies) while force applied and TTI were measured. The AP approach was associated with 13% lower TTI than AL (P < 0.001). Strongly negative correlations were observed between force applied and TTI in the AL position, irrespective of BMI (P ≤ 0.003). In all cases, 80% of the total reduction in TTI observed was achieved with 8 kg-force (∼80 N). All prompts resulted in significantly greater force applied and modest reductions in TTI. Applying force to self-adhesive electrodes reduces TTI and should be considered as a means of improving ECV success. Numerically greater mean force applied with a "push-up" force analogy suggests that "concrete" cues may be useful in improving ECV technique. © 2016 Wiley Periodicals, Inc.

Imaging Local Magnetic Domain Rearrangement in Strained LaCoO3 Thin Films Using Magnetic Force Microscopy

NASA Astrophysics Data System (ADS)

Berg, Morgann; Leon, Neliza; Posadas, Agham; Lee, Alfred; Kim, Jeehoon; de Lozanne, Alex; Demkov, Alex

2012-02-01

Previous studies we have conducted on thin films of lanthanum cobaltate (LCO) under tensile strain have revealed a tendency toward local magnetic domain rearrangement into streak-like configurations near the ferromagnetic to paramagnetic phase transition. Moreover, the persistence of these streak-like characteristics to lower temperatures after field-cooling appears to be linked to the strength of the applied magnetic field in which these films are field-cooled. This tendency has not yet been verified for thin films of LCO under compressive strain which could indicate whether this magnetic domain rearrangement is intrinsic to thin film samples of LCO or is merely an effect of tensile strain. Using magnetic force microscopy, we investigate the microscale magnetic properties of a thin film of LCO under compressive strain, prepared by molecular beam epitaxy and deposited on a lanthanum aluminate substrate. We observe these properties across a wide temperature range and compare our results to global magnetic characteristics of this film as measured by a SQUID magnetometer.

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.

Martini straight: Boosting performance using a shorter cutoff and GPUs

NASA Astrophysics Data System (ADS)

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

2016-02-01

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

Influence of magnetic pressure on stellar structure: A Mechanism for solar variability

NASA Technical Reports Server (NTRS)

Schatten, K. H.; Endal, A. S.

1980-01-01

A physical mechanism is proposed that couples the Sun's dynamo magnetic field to its gravitational potential energy. The mechanism involves the isotropic field pressure resulting in a lifting force on the convective envelope, thereby raising its potential energy. Decay of the field due to solar activity allows the envelop to subside and releases this energy, which can augment the otherwise steady solar luminosity. Equations are developed and applied to the Sun for several field configurations. The best estimate model suggests that uniform luminosity variations as large as 0.02% for half a sunspot cycle may occur. Brief temporal variations or the rotation of spatial structures could allow larger excursions in the energy released.

A TE-mode accelerator

NASA Astrophysics Data System (ADS)

Takeuchi, S.; Sakai, K.; Matsumoto, M.; Sugihara, R.

1987-04-01

An accelerator is proposed in which a TE-mode wave is used to drive charged particles in contrast to the usual linear accelerators in which longitudinal electric fields or TM-mode waves are supposed to be utilized. The principle of the acceleration is based on the V(p) x B acceleration of a dynamo force acceleration, in which a charged particle trapped in a transverse wave feels a constant electric field (Faraday induction field) and subsequently is accelerated when an appropriate magnetic field is externally applied in the direction perpendicular to the wave propagation. A pair of dielectric plates is used to produce a slow TE mode. The conditions of the particle trapping the stabilization of the particle orbit are discussed.

Magneto-motive detection of tissue-based macrophages by differential phase optical coherence tomography.

PubMed

Oh, Junghwan; Feldman, Marc D; Kim, Jihoon; Kang, Hyun Wook; Sanghi, Pramod; Milner, Thomas E

2007-03-01

A novel method to detect tissue-based macrophages using a combination of superparamagnetic iron oxide (SPIO) nanoparticles and differential phase optical coherence tomography (DP-OCT) with an external oscillating magnetic field is reported. Magnetic force acting on iron-laden tissue-based macrophages was varied by applying a sinusoidal current to a solenoid containing a conical iron core that substantially focused and increased magnetic flux density. Nanoparticle motion was detected with DP-OCT, which can detect tissue movement with nanometer resolution. Frequency response of iron-laden tissue movement was twice the modulation frequency since the magnetic force is proportional to the product of magnetic flux density and gradient. Results of our experiments indicate that DP-OCT can be used to identify tissue-based macrophage when excited by an external focused oscillating magnetic field. (c) 2007 Wiley-Liss, Inc

A self-assembled nanoscale robotic arm controlled by electric fields

NASA Astrophysics Data System (ADS)

Kopperger, Enzo; List, Jonathan; Madhira, Sushi; Rothfischer, Florian; Lamb, Don C.; Simmel, Friedrich C.

2018-01-01

The use of dynamic, self-assembled DNA nanostructures in the context of nanorobotics requires fast and reliable actuation mechanisms. We therefore created a 55-nanometer–by–55-nanometer DNA-based molecular platform with an integrated robotic arm of length 25 nanometers, which can be extended to more than 400 nanometers and actuated with externally applied electrical fields. Precise, computer-controlled switching of the arm between arbitrary positions on the platform can be achieved within milliseconds, as demonstrated with single-pair Förster resonance energy transfer experiments and fluorescence microscopy. The arm can be used for electrically driven transport of molecules or nanoparticles over tens of nanometers, which is useful for the control of photonic and plasmonic processes. Application of piconewton forces by the robot arm is demonstrated in force-induced DNA duplex melting experiments.

Flow produced by a free-moving floating magnet driven electromagnetically

NASA Astrophysics Data System (ADS)

Piedra, Saúl; Román, Joel; Figueroa, Aldo; Cuevas, Sergio

2018-04-01

The flow generated by a free-moving magnet floating in a thin electrolyte layer is studied experimentally and numerically. The magnet is dragged by a traveling vortex dipole produced by a Lorentz force created when a uniform dc current injected in the electrolyte interacts with the magnetic field of the same magnet. The problem represents a typical case of fluid-solid interaction but with a localized electromagnetic force promoting the motion. Classical wake flow structures are observed when the applied current varies in the range of 0.2 to 10 A. Velocity fields at the surface of the electrolyte are obtained for different flow conditions through particle image velocimetry. Quasi-two-dimensional numerical simulations, based on the immersed boundary technique that incorporates the fluid-solid interaction, reproduce satisfactorily the dynamics observed in the experiments.

Single- and multi-frequency detection of surface displacements via scanning probe microscopy.

PubMed

Romanyuk, Konstantin; Luchkin, Sergey Yu; Ivanov, Maxim; Kalinin, Arseny; Kholkin, Andrei L

2015-02-01

Piezoresponse force microscopy (PFM) provides a novel opportunity to detect picometer-level displacements induced by an electric field applied through a conducting tip of an atomic force microscope (AFM). Recently, it was discovered that superb vertical sensitivity provided by PFM is high enough to monitor electric-field-induced ionic displacements in solids, the technique being referred to as electrochemical strain microscopy (ESM). ESM has been implemented only in multi-frequency detection modes such as dual AC resonance tracking (DART) and band excitation, where the response is recorded within a finite frequency range, typically around the first contact resonance. In this paper, we analyze and compare signal-to-noise ratios of the conventional single-frequency method with multi-frequency regimes of measuring surface displacements. Single-frequency detection ESM is demonstrated using a commercial AFM.

Simulation of IR and Raman spectra of p-hydroxyanisole and p-nitroanisole based on scaled DFT force fields and their vibrational assignments.

PubMed

Krishnakumar, V; Prabavathi, N

2009-09-15

This work deals with the vibrational spectroscopy of p-hydroxyanisole (PHA) and p-nitroanisole (PNA) by means of quantum chemical calculations. The mid and far FT-IR and FT-Raman spectra were recorded in the condensed state. The fundamental vibrational frequencies and intensity of vibrational bands were evaluated using density functional theory (DFT) with the standard B3LYP/6-31G* method and basis set combination and were scaled using various scale factors which yield a good agreement between observed and calculated frequencies. The vibrational spectra were interpreted with the aid of normal coordinate analysis based on scaled density functional force field. The results of the calculations were applied to simulate infrared and Raman spectra of the title compounds, which showed excellent agreement with the observed spectra.

Dynamical pattern formation in a low-concentration magnetorheological fluid under two orthogonal sinusoidal fields

NASA Astrophysics Data System (ADS)

Yépez, L. D.; Carrillo, J. L.; Donado, F.; Sausedo-Solorio, J. M.; Miranda-Romagnoli, P.

2016-06-01

The dynamical pattern formation of clusters of magnetic particles in a low-concentration magnetorheological fluid, under the influence of a superposition of two perpendicular sinusoidal fields, is studied experimentally. By varying the frequency and phase shift of the perpendicular fields, this configuration enables us to experimentally analyze a wide range of field configurations, including the case of a pure rotating field and the case of an oscillating unidirectional field. The fields are applied parallel to the horizontal plane where the fluid lies or in the vertical plane. For fields applied in the horizontal plane, we observed that, when the ratio of the frequencies increases, the average cluster size exhibits a kind of periodic resonances. When the phase shift between the fields is varied, the average chain length reaches maximal values for the cases of the rotating field and the unidirectional case. We analyze and discuss these results in terms of a weighted average of the time-dependent Mason number. In the case of a rotating field on the vertical plane, we also observe that the competition between the magnetic and the viscous forces determines the average cluster size. We show that this configuration generates a series of physically meaningful self-organization of clusters and transport phenomena.

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

Physics of field-responsive fluids

NASA Astrophysics Data System (ADS)

Wan, Tsz Kai Jones

Electrorheological (ER) fluid is a new class of material, which possesses a variety of potential applications, such as shock absorbers and clutches. It is formed by microparticles that are dispersed in a host fluid. The particles will form chains rapidly when we apply an electric field to the ER fluid. However, due to the inadequacy of knowledge, the proposed applications have not been commercialized yet. The prediction of the strength of the ER effect is the main concern in the theoretical investigation of ER fluids. The ER effect is originated from the induced interaction between the polarized particles in an ER fluid. Existing theories assume that the particles are at rest. In a realistic situation, the fluid flow exerts force and torque on the particles, setting the particles in both translational and rotational motions under these actions. Recent experiments showed that the induced forces between the rotating particles are markedly different from the values predicted by existing theories. To overcome the discrepancy between theory and experiment, we formulate a model to take the particle motion into account, and derive the dependence of forces on the angular velocity of the rotating particles. We develop first-principles methods to investigate the dynamic ER effects in which the suspended particles can have translational or rotational motions. A model based on the relaxation of polarization charge on the particle surfaces is proposed and solved for various experimental conditions. The method can be extended to study the ER effects of coated particles, crystalline particles, and to the magnetorheological effects of paramagnetic particles. Moreover, the nonlinear ER effects under a strong applied field will be studied by the same approach. The results may help in the preparation of materials for the design of ER fluids.

Tumor growth delay by adjuvant alternating electric fields which appears non-thermally mediated.

PubMed

Castellví, Quim; Ginestà, Mireia M; Capellà, Gabriel; Ivorra, Antoni

2015-10-01

Delivery of the so-called Tumor Treatment Fields (TTFields) has been proposed as a cancer therapy. These are low magnitude alternating electric fields at frequencies from 100 to 300 kHz which are applied continuously in a non-invasive manner. Electric field delivery may produce an increase in temperature which cannot be neglected. We hypothesized that the reported results obtained by applying TTFields in vivo could be due to heat rather than to electrical forces as previously suggested. Here, an in vivo study is presented in which pancreatic tumors subcutaneously implanted in nude mice were treated for a week either with mild hyperthermia (41 °C) or with TTFields (6 V/cm, 150 kHz) and tumor growth was assessed. Although the TTFields applied singly did not produce any significant effect, the combination with chemotherapy did show a delay in tumor growth in comparison to animals treated only with chemotherapy (median relative reduction=47%). We conclude that concomitant chemotherapy and TTFields delivery show a beneficial impact on pancreatic tumor growth. Contrary to our hypothesis, this impact is non-related with the induced temperature increase. Copyright © 2015 Elsevier B.V. All rights reserved.

Magnetic and levitation characteristics of bulk high-temperature superconducting magnets above a permanent magnet guideway

NASA Astrophysics Data System (ADS)

Zheng, Jun; Zheng, Botian; He, Dabo; Sun, Ruixue; Deng, Zigang; Xu, Xun; Dou, Shixue

2016-09-01

Due to the large levitation force or the large guidance force of bulk high-temperature superconducting magnets (BHTSMs) above a permanent magnet guideway (PMG), it is reasonable to employ pre-magnetized BHTSMs to replace applied-magnetic-field-cooled superconductors in a maglev system. There are two combination modes between the BHTSM and the PMG, distinguished by the different directions of the magnetization. One is the S-S pole mode, and the other is the S-N pole mode combined with a unimodal PMG segment. A multi-point magnetic field measurement platform was employed to acquire the magnetic field signals of the BHTSM surface in real time during the pre-magnetization process and the re-magnetization process. Subsequently, three experimental aspects of levitation, including the vertical movement due to the levitation force, the lateral movement due to the guidance force, and the force relaxation with time, were explored above the PMG segment. Moreover, finite element modeling by COMSOL Multiphysics has been performed to simulate the different induced currents and the potentially different temperature rises with different modes inside the BHTSM. It was found that the S-S pole mode produced higher induced current density and a higher temperature rise inside the BHTSM, which might escalate its lateral instability above the PMG. The S-N pole mode exhibits the opposite characteristics. In general, this work is instructive for understanding and connecting the magnetic flux, the inner current density, the levitation behavior, and the temperature rise of BHTSMs employed in a maglev system.

Fabrication and characterization of artificial hair cell sensor based on MWCNT-PDMS composite

NASA Astrophysics Data System (ADS)

Kim, Chi Yeon; Lee, Hyun Sup; Cho, Yo Han; Joh, Cheeyoung; Choi, Pyung; Park, Seong Jin

2011-06-01

The aim of this work is to design and fabricate a flow sensor using an artificial hair cell (AHC) inspired by biological hair cells of fish. The sensor consists of a single cilium structure with high aspect ratio and a mechanoreceptor using force sensitive resistor (FSR). The cilium structure is designed for capturing a drag force with direction due to flow field around the sensor and the mechanoreceptor is designed for sensing the drag force with direction from the cilium structure and converting it into an electric signal. The mechanoreceptor has a symmetric four electrodes to sense the drag force and its direction. To fabricate the single cilium structure with high aspect ratio, we have proposed a new design concept using a separated micro mold system (SMS) fabricated by the LIGA process. For a successful replication of the cilium structure, we used the hot embossing process with the help of a double-sided mold system. We used a composite of multiwall carbon nanotube and polydimethylsiloxane (MWCNT-PDMS). The performance of the mechanoreceptors was measured by a computer-controlled nanoindenter. We carried out several experiments with the sensor in the different flow rate and direction using the experimental test apparatus. To calibrate the sensor and calculate the velocity with direction based the signal from the sensor, we analyzed the coupled phenomena between flow field and the cilium structure to calculate the deflection of the cilium structure and the drag force applying to the cilium structure due to the flow field around sensor.

Understanding electric field-enhanced transport for the measurement of nanoparticles and their assembly on surfaces

NASA Astrophysics Data System (ADS)

Tsai, De-Hao

The goal of this dissertation is to understand the synthesis, characterization, and integration of nanoparticles and nanoparticle-based devices by electric field-enhanced transport of nanoparticles. Chapter I describes the factors used for determining particle trajectories and found that electric fields provide the directional electrostatic force to overcome other non-directional influences on particle trajectories. This idea is widely applied in the nanoparticle classification, characterization, and assembly onto substrate surfaces as investigated in the following chapters. Chapter 2 presents a new assembly method to position metal nanoparticles delivered from the gas phase onto surfaces using the electrostatic force generated by biased p-n junction patterned substrates. Aligned deposition patterns of metal nanoparticles were observed, and the patterning selectivity quantified. A simple model accounting for the generated electric field, and the electrostatic, van der Waals, and image forces was used to explain the observed results. Chapter 2.2 describes a data set for particle size resolved deposition, from which a Brownian dynamics model for the process can be evaluated. Brownian motion and fluid convection of nanoparticles, as well as the interactions between the charged nanoparticles and the patterned substrate, including electrostatic force, image force and van der Waals force, are accounted for in the simulation. Using both experiment and simulation the effects of the particle size, electric field intensity, and the convective flow on coverage selectivity have been investigated. Coverage selectivity is most sensitive to electric field, which is controlled by the applied reverse bias voltage across the p-n junction. A non-dimensional analysis of the competition between the electrostatic and diffusion force is found to provide a means to collapse a wide range of process operating conditions and an effective indicator or process performance. Directed assembly of size-selected nanoparticles has been applied in the study of nanoparticle enhanced fluorescence (NEF) bio-sensing devices. Chapter 3 presents results of a systematic examination of funct onalized gold nanoparticles by electrospray-differential mobility analysis (ES-DMA). Formation of selfassembled monolayers (SAMs) of alkylthiol molecules and singly stranded DNA (ssDNA) on the Au-NP surface was detected from a change in particle mobility, which could be modeled to extract the surface packing density. A gas-phase temperature-programmed desorption (TPD) kinetic study of SAMs on the Au-NP found the data to be consistent with a second order Arrhenius based rate law, yielding an Arrhenius-factor of 1x1011s -1 and an activation energy ˜105 kJ/mol. This study suggests that the ES-DMA can be added to the tool set of characterization methods being employed and developed to study the structure and properties of coated nanoparticles. Chapter 3.2 demonstrates this ES-DMA as a new method to investigate colloidal aggregation and the parameters that govern it. Nanoparticle suspensions were characterized by sampling a Au nanoparticle (Au-NP) colloidal solution via electrospray (ES), followed by differential ion-mobility analysis (DMA) to determine the mobility distribution, and thus the aggregate distribution. By sampling at various times, the degree of flocculation and the flocculation rate are determined and found to be inversely proportional to the ionic strength and proportional to the residence time. A stability ratio at different ionic strengths, the critical concentration, and surface potential or surface charge density of Au-NPs are obtained from these data. This method should be a generically useful tool to probe the early stages of colloidal aggregation. Study of ES-DMA is extended to include the characterizations of a variety of materials. Biologically interested materials such as viruses and antibodies could also be characterized. These results show ES-DMA provides a general way to characterize the colloidal materials as well as aerosolized particles.

Spiral swimming of an artificial micro-swimmer

NASA Astrophysics Data System (ADS)

Keaveny, Eric E.; Maxey, Martin R.

A device constructed from a filament of paramagnetic beads connected to a human red blood cell will swim when subject to an oscillating magnetic field. Bending waves propagate from the tip of the tail toward the red blood cell in a fashion analogous to flagellum beating, making the artificial swimmer a candidate for studying what has been referred to as micro-swimming. In this study, we demonstrate that under the influence of a rotating field the artificial swimmer will perform -type swimming. We conduct numerical simulations of the swimmer where the paramagnetic tail is represented as a series of rigid spheres connected by flexible but inextensible links. An optimal range of parameters governing the relative strength of viscous, elastic and magnetic forces is identified for swimming speed. A parameterization of the motion is extracted and examined as a function of the driving frequency. With a continuous elastica/resistive force model, we obtain an expression for the swimming speed in the low-frequency limit. Using this expression we explore further the effects of the applied field, the ratio of the transverse field to the constant field, and the ratio of the radius of the sphere to the length of the filament tail on the resulting dynamics.

Phoretic and Radiometric Force Measurements on Microparticles in Microgravity Conditions

NASA Technical Reports Server (NTRS)

Davis, E. James

1996-01-01

Thermophoretic, diffusiophoretic and radiometric forces on microparticles are being measured over a wide range of gas phase and particle conditions using electrodynamic levitation of single particles to simulate microgravity conditions. The thermophoretic force, which arises when a particle exists in a gas having a temperature gradient, is measured by levitating an electrically charged particle between heated and cooled plates mounted in a vacuum chamber. The diffusiophoretic force arising from a concentration gradient in the gas phase is measured in a similar manner except that the heat exchangers are coated with liquids to establish a vapor concentration gradient. These phoretic forces and the radiation pressure force acting on a particle are measured directly in terms of the change in the dc field required to levitate the particle with and without the force applied. The apparatus developed for the research and the experimental techniques are discussed, and results obtained by thermophoresis experiments are presented. The determination of the momentum and energy accommodation coefficients associated with molecular collisions between gases molecules and particles and the measurement of the interaction between electromagnetic radiation and small particles are of particular interest.

Vertical electrostatic force in MEMS cantilever IR sensor

NASA Astrophysics Data System (ADS)

Rezadad, Imen; Boroumand Azad, Javaneh; Smith, Evan M.; Alhasan, Ammar; Peale, Robert E.

2014-06-01

A MEMS cantilever IR detector that repetitively lifts from the surface under the influence of a saw-tooth electrostatic force, where the contact duty cycle is a measure of the absorbed IR radiation, is analyzed. The design is comprised of three parallel conducting plates. Fixed buried and surface plates are held at opposite potential. A moveable cantilever is biased the same as the surface plate. Calculations based on energy methods with position-dependent capacity and electrostatic induction coefficients demonstrate the upward sign of the force on the cantilever and determine the force magnitude. 2D finite element method calculations of the local fields confirm the sign of the force and determine its distribution across the cantilever. The upward force is maximized when the surface plate is slightly larger than the other two. The electrostatic repulsion is compared with Casimir sticking force to determine the maximum useful contact area. MEMS devices were fabricated and the vertical displacement of the cantilever was observed in a number of experiments. The approach may be applied also to MEMS actuators and micromirrors.

FOREWORD: Focus on Magneto-Science

NASA Astrophysics Data System (ADS)

Tanimoto, Yoshifumi; Beaugnon, Eric; Kimura, Tsunehisa; Ozeki, Sumio

2008-06-01

Magnetite, a natural magnetic material, was discovered in China several thousand years ago. Since then, many ancient people have been fascinated by the interesting properties of magnetite. Similarly, many scientists have dreamed of manipulating chemical, physical and biological phenomena using magnetic fields. Despite the long time that has passed since the discovery of magnetite, this dream has only recently been accomplished. Magnetism, an important physical property of materials, is of three types: diamagnetism, paramagnetism and ferromagnetism. The magnetic susceptibilities of diamagnetic, paramagnetic and ferromagnetic materials are in the order of -10-10, +10-8 and +10-2 m3 mol-1, respectively. Note that most commonly used materials such as water and benzene are diamagnetic; air is paramagnetic. The magnetic energy of diamagnetic and paramagnetic (magnetically weak) materials under a magnetic field of 1 T, which is the maximum field generated by a tabletop electromagnet, is very small compared with the thermal energy at room temperature. Therefore, it is difficult to believe that a magnetic field less than 1 T markedly affects the chemical and physical phenomena of magnetically weak materials. Recently, the progress of superconducting magnet manufacturing technology has enabled us to freely use strong magnetic fields of 10 T or more in our laboratories. Because magnetic energy is proportional to the square of the magnetic flux density, the magnetic energy at 10 T, for example, is 100 times greater than that at 1 T, indicating that the effect of a 10 T magnetic field on magnetically weak materials becomes so great that magnetic phenomena, which cannot be observed in a 1 T field, are very clear in a 10 T field. Consequently, many interesting phenomena have been observed. For example, it was demonstrated that water in a vessel could be separated into two parts by applying strong horizontal magnetic fields to create the so-called Moses effect. Reportedly, diamagnetic materials such as water and wood can be levitated by applying vertical magnetic fields: magnetic levitation. These phenomena are interpreted in terms of magnetic force. Although the effect of a magnetic force has been well investigated both theoretically and experimentally, before these reports it was difficult to imagine that water could be separated or levitated using magnetic fields, simply because the magnetic force generated by a tabletop electromagnet is not strong enough to demonstrate these phenomena clearly. The magnetic phenomena occurring under a 10 T field markedly differ from those under a 1 T field: strong magnetic fields of approximately 10 T present researchers with a new interdisciplinary field of science, encompassing physics, chemistry and biology, which will also be useful for technological development. Taking these benefits into account, we adopted the term 'magneto-science' (basic and applied), to refer to the investigation of magnetic field effects (MFEs) on physical, chemical and biological phenomena in order to differentiate this new interdisciplinary field from traditional ones. In consideration of the important role of magneto-science in the 21st century, this focus issue contains 16 articles selected from the International Conference on Magneto-Science (ICMS2007), which was held in Hiroshima, Japan in November 2007. The selected papers describe various studies of MFEs (≤ 16 T) in hard, soft and biological materials. Topics such as the magnetic processing of alloys or hard materials, spin chemistry and spin dynamics, magneto-electrochemistry, the magnetic processing of soft materials, the applications of magnetic fields to analysis, and magneto-biology are addressed to delineate the frontiers of magneto-science. We hope that this focus issue will help readers to understand several aspects of the frontiers of magneto-science.

Investigation of shock-acoustic-wave interaction in transonic flow

NASA Astrophysics Data System (ADS)

Feldhusen-Hoffmann, Antje; Statnikov, Vladimir; Klaas, Michael; Schröder, Wolfgang

2018-01-01

The buffet flow field around supercritical airfoils is dominated by self-sustained shock wave oscillations on the suction side of the wing. Theories assume that this unsteadiness is driven by an acoustic feedback loop of disturbances in the flow field downstream of the shock wave whose upstream propagating part is generated by acoustic waves. Therefore, in this study, first variations in the sound pressure level of the airfoil's trailing-edge noise during a buffet cycle, which force the shock wave to move upstream and downstream, are detected, and then, the sensitivity of the shock wave oscillation during buffet to external acoustic forcing is analyzed. Time-resolved standard and tomographic particle-image velocimetry (PIV) measurements are applied to investigate the transonic buffet flow field over a supercritical DRA 2303 airfoil. The freestream Mach number is M_{∞} = 0.73, the angle of attack is α = {3.5}°, and the chord-based Reynolds number is Re_c = 1.9× 10^6. The perturbed Lamb vector field, which describes the major acoustic source term of trailing-edge noise, is determined from the tomographic PIV data. Subsequently, the buffet flow field is disturbed by an artificially generated acoustic field, the acoustic intensity of which is comparable to the Lamb vector that is determined from the PIV data. The results confirm the hypothesis that buffet is driven by an acoustic feedback loop and show the shock wave oscillation to directly respond to external acoustic forcing. That is, the amplitude modulation frequency of the artificial acoustic perturbation determines the shock oscillation.

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

An ultra-fast EOD-based force-clamp detects rapid biomechanical transitions

NASA Astrophysics Data System (ADS)

Woody, Michael S.; Capitanio, Marco; Ostap, E. Michael; Goldman, Yale E.

2017-08-01

We assembled an ultra-fast infrared optical trapping system to detect mechanical events that occur less than a millisecond after a ligand binds to its filamentous substrate, such as myosin undergoing its 5 - 10 nm working stroke after actin binding. The instrument is based on the concept of Capitanio et al.1, in which a polymer bead-actin-bead dumbbell is held in two force-clamped optical traps. A force applied by the traps causes the filament to move at a constant velocity as hydrodynamic drag balances the applied load. When the ligand binds, the filament motion stops within 100 μs as the total force from the optical traps is transferred to the attachment. Subsequent translations signal active motions, such as the magnitude and timing of the motor's working stroke. In our instrument, the beads defining the dumbbell are held in independent force clamps utilizing a field-programmable gate array (FPGA) to update the trap beam positions at 250 kHz. We found that in our setup, acousto-optical deflectors (AODs) steering the beams were unsuitable for this purpose due to a slightly non-linear response in the beam intensity and deflection angle vs. the AOD ultra-sound wavelength, likely caused by low-amplitude standing acoustic waves in the deflectors. These aberrations caused instability in the force feedback loops leading to artefactual 20 nm jumps in position. This type of AOD non-linearity has been reported to be absent in electro-optical deflectors (EODs)2. We demonstrate that replacement of the AODs with EODs improves the performance of our instrument. Combining the superior beam-steering capability of the EODs, force acquisition via back-plane interferometry, and the dual high-speed FPGA-based feedback loops, we smoothly and precisely apply constant loads to study the dynamics of interactions between biological molecules such as actin and myosin.

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.

Laboratory study of low-β forces in arched, line-tied magnetic flux ropes

NASA Astrophysics Data System (ADS)

Myers, C. E.; Yamada, M.; Ji, H.; Yoo, J.; Jara-Almonte, J.; Fox, W.

2016-11-01

The loss-of-equilibrium is a solar eruption mechanism whereby a sudden breakdown of the magnetohydrodynamic force balance in the Sun's corona ejects a massive burst of particles and energy into the heliosphere. Predicting a loss-of-equilibrium, which has more recently been formulated as the torus instability, relies on a detailed understanding of the various forces that hold the pre-eruption magnetic flux rope in equilibrium. Traditionally, idealized analytical force expressions are used to derive simplified eruption criteria that can be compared to solar observations and modeling. What is missing, however, is a validation that these idealized analytical force expressions can be applied to the line-tied, low-aspect-ratio conditions of the corona. In this paper, we address this shortcoming by using a laboratory experiment to study the forces that act on long-lived, arched, line-tied magnetic flux ropes. Three key force terms are evaluated over a wide range of experimental conditions: (1) the upward hoop force; (2) the downward strapping force; and (3) the downward toroidal field tension force. First, the laboratory force measurements show that, on average, the three aforementioned force terms cancel to produce a balanced line-tied equilibrium. This finding validates the laboratory force measurement techniques developed here, which were recently used to identify a dynamic toroidal field tension force that can prevent flux rope eruptions [Myers et al., Nature 528, 526 (2015)]. The verification of magnetic force balance also confirms the low-β assumption that the plasma thermal pressure is negligible in these experiments. Next, the measured force terms are directly compared to corresponding analytical expressions. While the measured and analytical forces are found to be well correlated, the low-aspect-ratio, line-tied conditions in the experiment are found to both reduce the measured hoop force and increase the measured tension force with respect to analytical expectations. These two co-directed effects combine to generate laboratory flux rope equilibria at lower altitudes than are predicted analytically. Such considerations are expected to modify the loss-of-equilibrium eruption criteria for analogous flux ropes in the solar corona.

Magnetic fields in Earth-like exoplanets and implications for habitability around M-dwarfs.

PubMed

López-Morales, Mercedes; Gómez-Pérez, Natalia; Ruedas, Thomas

2011-12-01

We present estimations of dipolar magnetic moments for terrestrial exoplanets using the Olson & Christiansen (EPS Lett 250:561-571, 2006) scaling law and assuming their interior structure is similar to Earth. We find that the dipolar moment of fast rotating planets (where the Coriolis force dominates convection in the core), may amount up to ~80 times the magnetic moment of Earth, M ⊕, for at least part of the planets' lifetime. For slow rotating planets (where the force of inertia dominates), the dipolar magnetic moment only reaches up to ~1.5 M [symbol in text]. Applying our calculations to confirmed rocky exoplanets, we find that CoRoT-7b, Kepler-10b and 55 Cnc e can sustain dynamos up to ~18, 15 and 13 M [symbol in text], respectively. Our results also indicate that the magnetic moment of rocky exoplanets not only depends on rotation rate, but also on their formation history, thermal state, age, composition, and the geometry of the field. These results apply to all rocky planets, but have important implications for the particular case of planets in the Habitable Zone of M-dwarfs.

Measurements of Induced-Charge Electroosmotic Flow Around a Metallic Rod

NASA Astrophysics Data System (ADS)

Beskok, Ali; Canpolat, Cetin

2012-11-01

A cylindrical gold-coated stainless steel rod was positioned at the center of a straight microchannel connecting two fluid reservoirs on either end. The microchannel was filled with 1 mM KCl containing 0.5 micron diameter carboxylate-modified spherical particles. Induced-charge electro-osmotic (ICEO) flow occurred around the metallic rod under a sinusoidal AC electric field applied using two platinum electrodes. The ICEO flows around the metallic rod were measured using micro particle image velocimetry (micro-PIV) technique as functions of the AC electric field strength and frequency. The present study provides experimental data about ICEO flow in the weakly nonlinear limit of thin double layers, in which, the charging dynamics of the double layer cannot be presented analytically. Flow around the rod is quadrupolar, driving liquid towards the rod along the electric field and forcing it away from the rod in the direction perpendicular to the imposed electric field. The measured ICEO flow velocity is proportional to the square of the electric field strength, and depends on the applied AC frequency.

Transport of ions through a (6,6) carbon nanotube under electric fields

NASA Astrophysics Data System (ADS)

Shen, Li; Xu, Zhen; Zhou, Zhe-Wei; Hu, Guo-Hui

2014-11-01

The transport of water and ions through carbon nanotubes (CNTs) is crucial in nanotechnology and biotechnology. Previous investigation indicated that the ions can hardly pass through (6,6) CNTs due to their hydrated shells. In the present study, utilizing molecular dynamics simulation, it is shown that the energy barrier mainly originating from the hydrated water molecules could be overcome by applying an electric field large enough in the CNT axis direction. Potential of mean force is calculated to show the reduction of energy barrier when the electric field is present for (Na+, K+, Cl-) ions. Consequently, ionic flux through (6,6) CNTs can be found once the electric field becomes larger than a threshold value. The variation of the coordination numbers of ions at different locations from the bulk to the center of the CNT is also explored to elaborate this dynamic process. The thresholds of the electric field are different for Na+, K+, and Cl- due to their characteristics. This consequence might be potentially applied in ion selectivity in the future.

Scaling Limit for a Generalization of the Nelson Model and its Application to Nuclear Physics

NASA Astrophysics Data System (ADS)

Suzuki, Akito

We study a mathematically rigorous derivation of a quantum mechanical Hamiltonian in a general framework. We derive such a Hamiltonian by taking a scaling limit for a generalization of the Nelson model, which is an abstract interaction model between particles and a Bose field with some internal degrees of freedom. Applying it to a model for the field of the nuclear force with isospins, we obtain a Schrödinger Hamiltonian with a matrix-valued potential, the one pion exchange potential, describing an effective interaction between nucleons.

Reorganization of a dense granular assembly: The unjamming response function

NASA Astrophysics Data System (ADS)

Kolb, Évelyne; Cviklinski, Jean; Lanuza, José; Claudin, Philippe; Clément, Éric

2004-03-01

We investigate the mechanical properties of a static dense granular assembly in response to a local forcing. To this end, a small cyclic displacement is applied on a grain in the bulk of a two-dimensional disordered packing under gravity and the displacement fields are monitored. We evidence a dominant long range radial response in the upper half part above the solicitation and after a large number of cycles the response is “quasireversible” with a remanent dissipation field exhibiting long range streams and vortexlike symmetry.

Use of elevator instruments when luxating and extracting teeth in dentistry: clinical techniques

PubMed Central

2017-01-01

In dentistry, elevator instruments are used to luxate teeth, and this technique imparts forces to tooth particles that sever the periodontal ligament around tooth roots inside the socket and expand alveolar bone around tooth particles. These effects can result in extraction of the tooth particles or facilitate systematic forceps extraction of the tooth particles. This article presents basic oral surgery techniques for applying elevators to luxate teeth. Determination of the optimal luxation technique requires understanding of the functions of the straight elevator and the Cryer elevator, the concept of purchase points, how the design elements of elevator working ends and tips influence the functionality of an elevator, application of forces to tooth particles, sectioning teeth at furcations, and bone removal to facilitate luxation. The effectiveness of tooth particle luxation is influenced by elevator tip shape and size, the magnitude and the vectors of forces applied to the tooth particle by the tip, and sectioning and bone removal within the operating field. Controlled extraction procedures are facilitated by a dental operating microscope or the magnification of binocular surgical loupes telescopes, combined with co-axial illumination. PMID:28770164

KINEMATIC TREATMENT OF CORONAL MASS EJECTION EVOLUTION IN THE SOLAR WIND

NASA Technical Reports Server (NTRS)

Riley, Pete; Crooker, N. U.

2004-01-01

We present a kinematic study of the evolution of coronal mass ejections (CMEs) in the solar wind. Specifically, we consider the effects of (1) spherical expansion and (2) uniform expansion due to pressure gradients between the interplanetary CME (ICME) and the ambient solar wind. We compare these results with an MHD model that allows us to isolate these effects h m the combined kinematic and dynamical effects, which are included in MHD models. They also provide compelling evidence that the fundamental cross section of so-called "force-free" flux ropes (or magnetic clouds) is neither circular or elliptical, but rather a convex-outward, "pancake" shape. We apply a force-free fit to the magnetic vectors from the MHD simulation to assess how the distortion of the flux rope affects the fit. In spite of these limitations, force-free fits, which are straightforward to apply, do provide an important description of a number of parameters, including the radial dimension, orientation, and chirality of the ICME. Subject headings: MHD - solar wind - Sun: activity - Sun: corona - Sun: coronal mass ejections (CMEs) - On-line material color figures Sun: magnetic fields

Mapping near-surface air temperature, pressure, relative humidity and wind speed over Mainland China with high spatiotemporal resolution

NASA Astrophysics Data System (ADS)

Li, Tao; Zheng, Xiaogu; Dai, Yongjiu; Yang, Chi; Chen, Zhuoqi; Zhang, Shupeng; Wu, Guocan; Wang, Zhonglei; Huang, Chengcheng; Shen, Yan; Liao, Rongwei

2014-09-01

As part of a joint effort to construct an atmospheric forcing dataset for mainland China with high spatiotemporal resolution, a new approach is proposed to construct gridded near-surface temperature, relative humidity, wind speed and surface pressure with a resolution of 1 km×1 km. The approach comprises two steps: (1) fit a partial thin-plate smoothing spline with orography and reanalysis data as explanatory variables to ground-based observations for estimating a trend surface; (2) apply a simple kriging procedure to the residual for trend surface correction. The proposed approach is applied to observations collected at approximately 700 stations over mainland China. The generated forcing fields are compared with the corresponding components of the National Centers for Environmental Prediction (NCEP) Climate Forecast System Reanalysis dataset and the Princeton meteorological forcing dataset. The comparison shows that, both within the station network and within the resolutions of the two gridded datasets, the interpolation errors of the proposed approach are markedly smaller than the two gridded datasets.

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.

Bracing of pectus carinatum: A quantitative analysis.

PubMed

Bugajski, Tomasz; Murari, Kartikeya; Lopushinsky, Steven; Schneider, Marc; Ronsky, Janet

2018-05-01

Primary treatment of pectus carinatum (PC) is performed with an external brace that compresses the protrusion. Patients are 'prescribed' a brace tightening force. However, no visual guides exist to display this force magnitude. The purpose of this study was to determine the repeatability of patients in applying their prescribed force over time and to determine whether the protrusion stiffness influences the patient-applied forces and the protrusion correction rate. Twenty-one male participants (12-17years) with chondrogladiolar PC were recruited at the time of brace fitting. Participants were evaluated on three visits: fitting, one month postfitting, and two months postfitting. Differences between prescribed force and patient-applied force were evaluated. Relationships of patient-applied force and correction rate with protrusion stiffness were assessed. Majority of individuals followed for two months (75%) had a significantly different patient-applied force (p<0.05) from their prescribed force. Protrusion stiffness had a positive relationship with patient-applied force, but no relationship with correction rate. Patients did not follow their prescribed force. Magnitudes of these differences require further investigation to determine clinical significance. Patient-applied forces were influenced by protrusion stiffness, but correction rate was not. Other factors may influence these variables, such as patient compliance. Treatment Study - Level IV. Copyright © 2018 Elsevier Inc. All rights reserved.

Photophoretic velocimetry for the characterization of aerosols.

PubMed

Haisch, Christoph; Kykal, Carsten; Niessner, Reinhard

2008-03-01

Aerosols are particles in a size range from some nanometers to some micrometers suspended in air or other gases. Their relevance varies as wide as their origin and composition. In the earth's atmosphere they influence the global radiation balance and human health. Artificially produced aerosols are applied, e.g., for drug administration, as paint and print pigments, or in rubber tire production. In all these fields, an exact characterization of single particles as well as of the particle ensemble is essential. Beyond characterization, continuous separation is often required. State-of-the-art separation techniques are based on electrical, thermal, or flow fields. In this work we present an approach to apply light in the form of photophoretic (PP) forces for characterization and separation of aerosol particles according to their optical properties. Such separation technique would allow, e.g., the separation of organic from inorganic particles of the same aerodynamic size. We present a system which automatically records velocities induced by PP forces and does a statistical evaluation in order to characterize the particle ensemble properties. The experimental system essentially consists of a flow cell with rectangular cross section (1 cm(2), length 7 cm), where the aerosol stream is pumped through in the vertical direction at ambient pressure. In the cell, a laser beam is directed orthogonally to the particle flow direction, which results in a lateral displacement of the particles. In an alternative configuration, the beam is directed in the opposite direction to the aerosol flow; hence, the particles are slowed down by the PP force. In any case, the photophoretically induced variations of speed and position are visualized by a second laser illumination and a camera system, feeding a mathematical particle tracking algorithm. The light source inducing the PP force is a diode laser (lambda = 806 nm, P = 0.5 W).

Magnetic Nanotweezers for Interrogating Biological Processes in Space and Time.

PubMed

Kim, Ji-Wook; Jeong, Hee-Kyung; Southard, Kaden M; Jun, Young-Wook; Cheon, Jinwoo

2018-04-17

The ability to sense and manipulate the state of biological systems has been extensively advanced during the past decade with the help of recent developments in physical tools. Unlike standard genetic and pharmacological perturbation techniques-knockdown, overexpression, small molecule inhibition-that provide a basic on/off switching capability, these physical tools provide the capacity to control the spatial, temporal, and mechanical properties of the biological targets. Among the various physical cues, magnetism offers distinct advantages over light or electricity. Magnetic fields freely penetrate biological tissues and are already used for clinical applications. As one of the unique features, magnetic fields can be transformed into mechanical stimuli which can serve as a cue in regulating biological processes. However, their biological applications have been limited due to a lack of high-performance magnetism-to-mechanical force transducers with advanced spatiotemporal capabilities. In this Account, we present recent developments in magnetic nanotweezers (MNTs) as a useful tool for interrogating the spatiotemporal control of cells in living tissue. MNTs are composed of force-generating magnetic nanoparticles and field generators. Through proper design and the integration of individual components, MNTs deliver controlled mechanical stimulation to targeted biomolecules at any desired space and time. We first discuss about MNT configuration with different force-stimulation modes. By modulating geometry of the magnetic field generator, MNTs exert pulling, dipole-dipole attraction, and rotational forces to the target specifically and quantitatively. We discuss the key physical parameters determining force magnitude, which include magnetic field strength, magnetic field gradient, magnetic moment of the magnetic particle, as well as distance between the field generator and the particle. MNTs also can be used over a wide range of biological time scales. By simply adjusting the amplitude and phase of the applied current, MNTs based on electromagnets allow for dynamic control of the magnetic field from microseconds to hours. Chemical design and the nanoscale effects of magnetic particles are also essential for optimizing MNT performance. We discuss key strategies to develop magnetic nanoparticles with improved force-generation capabilities with a particular focus on the effects of size, shape, and composition of the nanoparticles. We then introduce various strategies and design considerations for target-specific biomechanical stimulations with MNTs. One-to-one particle-receptor engagement for delivering a defined force to the targeted receptor and the small size of the nanoparticles are important. Finally, we demonstrate the utility of MNTs for manipulating biological functions and activities with various spatial (single molecule/cell to organisms) and temporal resolution (microseconds to days). MNTs have the potential to be utilized in many exciting applications across diverse biological systems spanning from fundamental biology investigations of spatial and mechanical signaling dynamics at the single-cell and systems levels to in vivo therapeutic applications.

Final Report

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

Bauer, Susanne

2015-02-09

We participated in a FASTER SCM intercomparison for which we ran our SCM for 3 years at the SGP to analyze statistics of the precipitation field (Song et al., 2013). An important feature of these simulations was the use of relaxation forcing to observed T, q, which decouples the model convection from the forcing and allows precipitation errors to emerge. Because the GISS cumulus parameterization includes a trigger that prevents convection until sufficient lifting is present, and because convection at the SGP is usually triggered by mesoscale motions that are not represented in the forcing when relaxation is applied, themore » duration of SCM precipitation is shorter than observed (Del Genio and Wolf, 2012) and thus its mean precipitation less than observed. However, its diurnal cycle phase is correct, and it is the only operational cumulus parameterization in the intercomparison that does not produce excessive warm season precipitation under weak large-scale forcing conditions.« less

Formation control of robotic swarm using bounded artificial forces.

PubMed

Qin, Long; Zha, Yabing; Yin, Quanjun; Peng, Yong

2013-01-01

Formation control of multirobot systems has drawn significant attention in the recent years. This paper presents a potential field control algorithm, navigating a swarm of robots into a predefined 2D shape while avoiding intermember collisions. The algorithm applies in both stationary and moving targets formation. We define the bounded artificial forces in the form of exponential functions, so that the behavior of the swarm drove by the forces can be adjusted via selecting proper control parameters. The theoretical analysis of the swarm behavior proves the stability and convergence properties of the algorithm. We further make certain modifications upon the forces to improve the robustness of the swarm behavior in the presence of realistic implementation considerations. The considerations include obstacle avoidance, local minima, and deformation of the shape. Finally, detailed simulation results validate the efficiency of the proposed algorithm, and the direction of possible futrue work is discussed in the conclusions.

EMAT enhanced dispersion of particles in liquid

DOEpatents

Kisner, Roger A.; Rios, Orlando; Melin, Alexander M.; Ludtka, Gerard Michael; Ludtka, Gail Mackiewicz; Wilgen, John B.

2016-11-29

Particulate matter is dispersed in a fluid material. A sample including a first material in a fluid state and second material comprising particulate matter are placed into a chamber. The second material is spatially dispersed in the first material utilizing EMAT force. The dispersion process continues until spatial distribution of the second material enables the sample to meet a specified criterion. The chamber and/or the sample is electrically conductive. The EMAT force is generated by placing the chamber coaxially within an induction coil driven by an applied alternating current and placing the chamber and induction coil coaxially within a high field magnetic. The EMAT force is coupled to the sample without physical contact to the sample or to the chamber, by another physical object. Batch and continuous processing are utilized. The chamber may be folded within the bore of the magnet. Acoustic force frequency and/or temperature may be controlled.

Control of flow separation in a turbulent boundary layer

NASA Astrophysics Data System (ADS)

Cho, Minjeong; Choi, Sangho; Choi, Haecheon

2015-11-01

Towards the development of successful control methods for separation delay in a turbulent boundary layer, we adopt a model flow field, in which a turbulent separation occurs above a flat plate (Na and Moin 1998 JFM), and apply controls to this flow for reducing the size of the separation bubble and investigating the interaction between the forcing and flow near the separation bubble. We provide a single-frequency forcing with zero net mass flow rate at the upstream of the separation bubble. At low forcing frequencies, spanwise vortices are generated and travel downstream, bringing high momentum toward the wall and reducing the size of the separation bubble. Also, these vortices cause the separation and reattachment points to travel downstream. On the other hand, at high forcing frequencies, the size of the separation bubble becomes smaller and larger in time, respectively, due to the pressure gradient alternating favorably and adversely in time. Supported by NRF-2011-0028032 and 2014048162.

Formation Control of Robotic Swarm Using Bounded Artificial Forces

PubMed Central

Zha, Yabing; Peng, Yong

2013-01-01

Formation control of multirobot systems has drawn significant attention in the recent years. This paper presents a potential field control algorithm, navigating a swarm of robots into a predefined 2D shape while avoiding intermember collisions. The algorithm applies in both stationary and moving targets formation. We define the bounded artificial forces in the form of exponential functions, so that the behavior of the swarm drove by the forces can be adjusted via selecting proper control parameters. The theoretical analysis of the swarm behavior proves the stability and convergence properties of the algorithm. We further make certain modifications upon the forces to improve the robustness of the swarm behavior in the presence of realistic implementation considerations. The considerations include obstacle avoidance, local minima, and deformation of the shape. Finally, detailed simulation results validate the efficiency of the proposed algorithm, and the direction of possible futrue work is discussed in the conclusions. PMID:24453809

Restoration of the contact surface in FORCE-type centred schemes I: Homogeneous two-dimensional shallow water equations

NASA Astrophysics Data System (ADS)

Canestrelli, Alberto; Toro, Eleuterio F.

2012-10-01

Recently, the FORCE centred scheme for conservative hyperbolic multi-dimensional systems has been introduced in [34] and has been applied to Euler and relativistic MHD equations, solved on unstructured meshes. In this work we propose a modification of the FORCE scheme, named FORCE-Contact, that provides improved resolution of contact and shear waves. This paper presents the technique in full detail as applied to the two-dimensional homogeneous shallow water equations. The improvements due to the new method are particularly evident when an additional equation is solved for a tracer, since the modified scheme exactly resolves isolated and steady contact discontinuities. The improvement is considerable also for slowly moving contact discontinuities, for shear waves and for steady states in meandering channels. For these types of flow fields, the numerical results provided by the new FORCE-Contact scheme are comparable with, and sometimes better than, the results obtained from upwind schemes, such as Roes scheme for example. In a companion paper, a similar approach to restoring the missing contact wave and preserving well-balanced properties for non-conservative one- and two-layer shallow water equations is introduced. However, the procedure is general and it is in principle applicable to other multidimensional hyperbolic systems in conservative and non-conservative form, such as the Euler equations for compressible gas dynamics.

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

Limitations of differential electrophoresis for measuring colloidal forces: a Brownian dynamics study.

PubMed

Holtzer, Gretchen L; Velegol, Darrell

2005-10-25

Differential electrophoresis experiments are often used to measure subpiconewton forces between two spheres of a heterodoublet. The experiments have been interpreted by solving the electrokinetic equations to obtain a simple Stokes law-type equation. However, for nanocolloids, the effects of Brownian motion alter the interpretation: (1) Brownian translation changes the rate of axial separation. (2) Brownian rotation reduces the alignment of the doublet with the applied electric field. (3) Particles can reaggregate by Brownian motion after they break, forming either heterodoublets or homodoublets, and because homodoublets cannot be broken by differential electrophoresis, this effectively terminates the experiment. We tackle points 1 and 2 using Brownian dynamics simulations (BDS) with electrophoresis as an external force, accounting for convective translation and rotation as well as Brownian translation and rotation. Our simulations identify the lower particle size limit of differential electrophoresis to be about 1 microm for desired statistical accuracy. Furthermore, our simulations predict that particles around 10 nm in size and at ambient conditions will break primarily by Brownian motion, with a negligible effect due to the electric field.

Dynamics of active sites in biological macromolecules using a Green-function approach: An application to heme vibrational dynamics in myoglobin

NASA Astrophysics Data System (ADS)

Rai, Brajesh; Prohofsky, Earl

2003-03-01

Dynamics of functionally active regions of biological macromolecules can be studied using a Green-function technique. This approach uses the fact that in most cases one has a good set of force constants for active sites, and rather poorly defined force field parameters for other regions of the macromolecule. The Green-function method is applied to study the iron vibrational modes of the heme active site in myoglobin. In this approach, the heme active site is viewed as a system interacting with surrounding globin, which acts as an excitation bath. The normal modes of heme and globin are separately calculated using the best available force fields for the two entities. The iron vibrational spectrum of myoglobin is then obtained using the solutions of the heme and globin, and by considering physically meaningful interactions between the two units. The refinement of the Green-function calculations to the experimental data from an x-ray synchrotron-based Nuclear Resonance Vibrational Spectroscopy provides important insights into the character of iron normal modes of myoglobin.

Floating electrode dielectrophoresis.

PubMed

Golan, Saar; Elata, David; Orenstein, Meir; Dinnar, Uri

2006-12-01

In practice, dielectrophoresis (DEP) devices are based on micropatterned electrodes. When subjected to applied voltages, the electrodes generate nonuniform electric fields that are necessary for the DEP manipulation of particles. In this study, electrically floating electrodes are used in DEP devices. It is demonstrated that effective DEP forces can be achieved by using floating electrodes. Additionally, DEP forces generated by floating electrodes are different from DEP forces generated by excited electrodes. The floating electrodes' capabilities are explained theoretically by calculating the electric field gradients and demonstrated experimentally by using test-devices. The test-devices show that floating electrodes can be used to collect erythrocytes (red blood cells). DEP devices which contain many floating electrodes ought to have fewer connections to external signal sources. Therefore, the use of floating electrodes may considerably facilitate the fabrication and operation of DEP devices. It can also reduce device dimensions. However, the key point is that DEP devices can integrate excited electrodes fabricated by microtechnology processes and floating electrodes fabricated by nanotechnology processes. Such integration is expected to promote the use of DEP devices in the manipulation of nanoparticles.

From theory to field experiments

NASA Astrophysics Data System (ADS)

de Vos, Bram

2016-04-01

Peter Raats' achievements in Haren (NL) 1986-1997 were based on a solid theoretical insight in hydrology and transport process in soil. However, Peter was also the driving force behind many experimental studies and applied research. This will be illustrated by a broad range of examples ranging from the dynamics of composting processes of organic material; modelling and monitoring nutrient leaching at field-scale; wind erosion; water and nutrient dynamics in horticultural production systems; oxygen diffusion in soils; and processes of water and nutrient uptake by plant roots. Peter's leadership led to may new approaches and the introduction of innovative measurement techniques in Dutch research; ranging from TDR to nutrient concentration measurements in closed fertigation systems. This presentation will give a brief overview how Peter's theoretical and mathematical insights accelerated this applied research.

Laser ablation with applied magnetic field for electric propulsion

NASA Astrophysics Data System (ADS)

Batishcheva, Alla; Batishchev, Oleg; Cambier, Jean-Luc

2012-10-01

Using ultrafast lasers with tera-watt-level power allows efficient ablation and ionization of solid-density materials [1], creating dense and hot (˜100eV) plasma. We propose ablating small droplets in the magnetic nozzle configurations similar to mini-helicon plasma source [2]. Such approach may improve the momentum coupling compared to ablation of solid surfaces and facilitate plasma detachment. Results of 2D modeling of solid wire ablation in the applied magnetic field are presented and discussed. [4pt] [1] O. Batishchev et al, Ultrafast Laser Ablation for Space Propulsion, AIAA technical paper 2008-5294, -16p, 44th JPC, Hartford, 2008.[0pt] [2] O. Batishchev and J.L. Cambier, Experimental Study of the Mini-Helicon Thruster, Air Force Research Laboratory Report, AFRL-RZ-ED-TR-2009-0020, 2009.

Jamming of granular ice mélange in tidewater glacial fjords

NASA Astrophysics Data System (ADS)

Burton, J. C.; Cassotto, R.; Amundson, J. M.; Kuo, C. C.; Dennin, M.

2016-12-01

In tidewater glacial fjords, the open water in front of the glacier terminus is often filled with a collection of calved iceberg fragments and sea ice. For glaciers with large calving rates, this "mélange" of ice can be jam-packed, so that the flow is mostly determined by granular interactions, in addition to underlying fjord currents. As the glacier pushes the ice mélange through the fjord, the mélange will become jammed and may potentially influence calving rates if the back-stress applied to the glacier terminus is large enough. However, the stress applied by a granular ice mélange will depend on its rheology, i.e. iceberg-iceberg contact forces, geometry, friction, etc. Here we report 2D, discrete particle simulations to model the granular mechanics of ice mélange. A polydisperse collection of particles is packed into a long channel and pushed downfjord at a constant speed, the latter derived from terrestrial radar interferometry (TRI). Each individual particle experiences viscoelastic contact forces and tangential frictional forces upon collision with another particle or channel walls. We find the two most important factors that govern the total force applied to the glacier are the geometry of the channel, and the shape of the particles. In addition, our simulated velocity fields reveal shearing margins near the fjord walls with more uniform flow in the middle of the mélange, consistent with TRI observations. Finally, we find that the magnitude of the back-stress applied to the glacier terminus can influence calving, however, the maximum back-stress is limited by the buckling of icebergs into the fjord waters, so that the stress in the quasi-2D mélange is partially determined by the thickness of the mélange layer.

The effect of low force chiropractic adjustments for 4 weeks on body surface electromagnetic field.

PubMed

Zhang, John; Snyder, Brian J

2005-01-01

To study the effects of 4 weeks of low-force chiropractic adjustments on body surface electromagnetic fields (EMFs). Thirty-five chiropractic students randomly assigned into control (17 subjects) and experimental groups (28 subjects). A triaxial fluxgate magnetometer was used for EMF detection. The subjects' body surface EMF was determined in the prone position before and after the chiropractic adjustment. A Toftness low-force chiropractic adjustment was applied to the cervical, thoracic, lumbar, and sacral areas as determined by the practitioner. Heart rate variability analysis was recorded once a week to determine autonomic nervous system activity in both the control and experimental groups. The EMF on the subjects' body surface decreased after chiropractic adjustment at the cervical, thoracic, lumbar, and sacral regions in all 6 visits during the 4-week treatment period. The EMF showed a downtrend over the 4-week period after the low-force adjustment. The same changes were not observed in the control group. The chiropractic adjustment group had a slight decrease in heart rate over the 4-week treatment period, and no significant change was observed in the control group. Heart rate variability analysis did not show consistent changes before and after the low-force adjustments during the treatment period. Low-force chiropractic adjustment in the cervical and thoracic areas resulted in a consistent reduction of the body surface EMF after 4 weeks of active treatment. No statistically significant differences were found in the heart rate and heart rate variability in the 4-week study.

Calculations of current-induced forces on moored tankers, using the theory of manoeuvring ships

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

Mirza, S.

1996-12-31

The knowledge of current induced loads on moored tankers is important in the design of mooring lines. Normally, these current loads are determined from controlled laboratory experiments and field tests or from the Oil Companies International Marine Forum (OCIMF) data (1977). Chakrabarti (1995) mentions that the validity of some of this data is doubtful, and he conducted some tank tests. To save time involved in preparation of elaborate tank tests, it will be useful to have some analytical tools to calculate the current induced loads. In this paper, an attempt has been made to calculate the lateral forces in currentmore » only conditions, using the theory of manoeuvring ships. The manoeuvring model was developed by Wellicome (1981). The sway forces on the hull are modelled by conformal transformation of the hull into a circle plane and applying the flow field. The forces on the bilge keel are modelled by vortex panel method. The results for the simulation are compared with the test results of Chakrabarti (1995). There is good correlation between the experimental and theoretical results for the case of hull with bilge keels. This is true for the streaming flow velocity up to an angle of 45 to the longitudinal direction of the hull. For the case of bare hull, the computational model grossly underpredicts the sway forces. This may be due to the dominance of viscous forces than the potential ones.« less

Rapid and label-free separation of Burkitt's lymphoma cells from red blood cells by optically-induced electrokinetics.

PubMed

Liang, Wenfeng; Zhao, Yuliang; Liu, Lianqing; Wang, Yuechao; Dong, Zaili; Li, Wen Jung; Lee, Gwo-Bin; Xiao, Xiubin; Zhang, Weijing

2014-01-01

Early stage detection of lymphoma cells is invaluable for providing reliable prognosis to patients. However, the purity of lymphoma cells in extracted samples from human patients' marrow is typically low. To address this issue, we report here our work on using optically-induced dielectrophoresis (ODEP) force to rapidly purify Raji cells' (a type of Burkitt's lymphoma cell) sample from red blood cells (RBCs) with a label-free process. This method utilizes dynamically moving virtual electrodes to induce negative ODEP force of varying magnitudes on the Raji cells and RBCs in an optically-induced electrokinetics (OEK) chip. Polarization models for the two types of cells that reflect their discriminate electrical properties were established. Then, the cells' differential velocities caused by a specific ODEP force field were obtained by a finite element simulation model, thereby established the theoretical basis that the two types of cells could be separated using an ODEP force field. To ensure that the ODEP force dominated the separation process, a comparison of the ODEP force with other significant electrokinetics forces was conducted using numerical results. Furthermore, the performance of the ODEP-based approach for separating Raji cells from RBCs was experimentally investigated. The results showed that these two types of cells, with different concentration ratios, could be separated rapidly using externally-applied electrical field at a driven frequency of 50 kHz at 20 Vpp. In addition, we have found that in order to facilitate ODEP-based cell separation, Raji cells' adhesion to the OEK chip's substrate should be minimized. This paper also presents our experimental results of finding the appropriate bovine serum albumin concentration in an isotonic solution to reduce cell adhesion, while maintaining suitable medium conductivity for electrokinetics-based cell separation. In short, we have demonstrated that OEK technology could be a promising tool for efficient and effective purification of Raji cells from RBCs.

A partition function-based weighting scheme in force field parameter development using ab initio calculation results in global configurational space.

PubMed

Wu, Yao; Dai, Xiaodong; Huang, Niu; Zhao, Lifeng

2013-06-05

In force field parameter development using ab initio potential energy surfaces (PES) as target data, an important but often neglected matter is the lack of a weighting scheme with optimal discrimination power to fit the target data. Here, we developed a novel partition function-based weighting scheme, which not only fits the target potential energies exponentially like the general Boltzmann weighting method, but also reduces the effect of fitting errors leading to overfitting. The van der Waals (vdW) parameters of benzene and propane were reparameterized by using the new weighting scheme to fit the high-level ab initio PESs probed by a water molecule in global configurational space. The molecular simulation results indicate that the newly derived parameters are capable of reproducing experimental properties in a broader range of temperatures, which supports the partition function-based weighting scheme. Our simulation results also suggest that structural properties are more sensitive to vdW parameters than partial atomic charge parameters in these systems although the electrostatic interactions are still important in energetic properties. As no prerequisite conditions are required, the partition function-based weighting method may be applied in developing any types of force field parameters. Copyright © 2013 Wiley Periodicals, Inc.

Polarization: A Key Difference between Man-made and Natural Electromagnetic Fields, in regard to Biological Activity.

PubMed

Panagopoulos, Dimitris J; Johansson, Olle; Carlo, George L

2015-10-12

In the present study we analyze the role of polarization in the biological activity of Electromagnetic Fields (EMFs)/Electromagnetic Radiation (EMR). All types of man-made EMFs/EMR - in contrast to natural EMFs/EMR - are polarized. Polarized EMFs/EMR can have increased biological activity, due to: 1) Ability to produce constructive interference effects and amplify their intensities at many locations. 2) Ability to force all charged/polar molecules and especially free ions within and around all living cells to oscillate on parallel planes and in phase with the applied polarized field. Such ionic forced-oscillations exert additive electrostatic forces on the sensors of cell membrane electro-sensitive ion channels, resulting in their irregular gating and consequent disruption of the cell's electrochemical balance. These features render man-made EMFs/EMR more bioactive than natural non-ionizing EMFs/EMR. This explains the increasing number of biological effects discovered during the past few decades to be induced by man-made EMFs, in contrast to natural EMFs in the terrestrial environment which have always been present throughout evolution, although human exposure to the latter ones is normally of significantly higher intensities/energy and longer durations. Thus, polarization seems to be a trigger that significantly increases the probability for the initiation of biological/health effects.

Polarization: A Key Difference between Man-made and Natural Electromagnetic Fields, in regard to Biological Activity

PubMed Central

Panagopoulos, Dimitris J.; Johansson, Olle; Carlo, George L.

2015-01-01

In the present study we analyze the role of polarization in the biological activity of Electromagnetic Fields (EMFs)/Electromagnetic Radiation (EMR). All types of man-made EMFs/EMR - in contrast to natural EMFs/EMR - are polarized. Polarized EMFs/EMR can have increased biological activity, due to: 1) Ability to produce constructive interference effects and amplify their intensities at many locations. 2) Ability to force all charged/polar molecules and especially free ions within and around all living cells to oscillate on parallel planes and in phase with the applied polarized field. Such ionic forced-oscillations exert additive electrostatic forces on the sensors of cell membrane electro-sensitive ion channels, resulting in their irregular gating and consequent disruption of the cell’s electrochemical balance. These features render man-made EMFs/EMR more bioactive than natural non-ionizing EMFs/EMR. This explains the increasing number of biological effects discovered during the past few decades to be induced by man-made EMFs, in contrast to natural EMFs in the terrestrial environment which have always been present throughout evolution, although human exposure to the latter ones is normally of significantly higher intensities/energy and longer durations. Thus, polarization seems to be a trigger that significantly increases the probability for the initiation of biological/health effects. PMID:26456585

Conditions for Destabilizing Pickering emulsions using external electric fields

NASA Astrophysics Data System (ADS)

Hwang, Kyuho; Singh, Pushpendra; Aubry, Nadine

2009-11-01

Fine particles are readily adsorbed at fluid-fluid interfaces, and can be used as stabilizers in emulsion technology by preventing adjacent drops from coalescing with each other. We investigate a new technique to destabilize such emulsions, or Pickering emulsions, by applying an external electric field. Experiments show that the latter has two effects: (i) the drops elongate in the direction of the electric field, (ii) the local particle density varies on the drop surface due to the dielectrophoretic (DEP) force acting on the particles. It is shown that the latter is the dominant factor in the destabilization process. Particularly, the success of the method depends on the values of certain dimensionless parameters; specifically, the ratio of the work done by the dielectrophoretic force must be larger than the work done by the buoyant force. Moreover, drops do not coalesce through the regions where the particles locally cluster, whether those are gathered at the poles or at the equator of the drops. As particles move, particle-free openings form on the drop's surface, which allow for adjacent drops to merge. This process takes place even if the particles are fully packed on the drops' surfaces as particles get ejected from the clustering areas due to a buckling phenomenon.

PIV-based estimation of unsteady loads on a flat plate at high angle of attack using momentum equation approaches

NASA Astrophysics Data System (ADS)

Guissart, Amandine; Bernal, Luis; Dimitriadis, Gregorios; Terrapon, Vincent

2015-11-01

The direct measurement of loads with force balance can become challenging when the forces are small or when the body is moving. An alternative is the use of Particle Image Velocimetry (PIV) velocity fields to indirectly obtain the aerodynamic coefficients. This can be done by the use of control volume approaches which lead to the integration of velocities, and other fields deriving from them, on a contour surrounding the studied body and its supporting surface. This work exposes and discusses results obtained with two different methods: the direct use of the integral formulation of the Navier-Stokes equations and the so-called Noca's method. The latter is a reformulation of the integral Navier-Stokes equations in order to get rid of the pressure. Results obtained using the two methods are compared and the influence of different parameters is discussed. The methods are applied to PIV data obtained from water channel testing for the flow around a 16:1 plate. Two cases are considered: a static plate at high angle of attack and a large amplitude imposed pitching motion. Two-dimensional PIV velocity fields are used to compute the aerodynamic forces. Direct measurements of dynamic loads are also carried out in order to assess the quality of the indirectly calculated coefficients.

A cohesive-frictional force field (CFFF) for colloidal calcium-silicate-hydrates

NASA Astrophysics Data System (ADS)

Palkovic, Steven D.; Yip, Sidney; Büyüköztürk, Oral

2017-12-01

Calcium-silicate-hydrate (C-S-H) gel is a cohesive-frictional material that exhibits strength asymmetry in compression and tension and normal-stress dependency of the maximum shear strength. Experiments suggest the basic structural component of C-S-H is a colloidal particle with an internal layered structure. These colloids form heterogeneous assemblies with a complex pore network at the mesoscale. We propose a cohesive-frictional force field (CFFF) to describe the interactions in colloidal C-S-H materials that incorporates the strength anisotropy fundamental to the C-S-H molecular structure that has been omitted from recent mesoscale models. We parameterize the CFFF from reactive force field simulations of an internal interface that controls mechanical performance, describing the behavior of thousands of atoms through a single effective pair interaction. We apply the CFFF to study the mesoscale elastic and Mohr-Coulomb strength properties of C-S-H with varying polydispersity and packing density. Our results show that the consideration of cohesive-frictional interactions lead to an increase in stiffness, shear strength, and normal-stress dependency, while also changing the nature of local deformation processes. The CFFF and our coarse-graining approach provide an essential connection between nanoscale molecular interactions and macroscale continuum behavior for hydrated cementitious materials.

Polarization: A Key Difference between Man-made and Natural Electromagnetic Fields, in regard to Biological Activity

NASA Astrophysics Data System (ADS)

Panagopoulos, Dimitris J.; Johansson, Olle; Carlo, George L.

2015-10-01

In the present study we analyze the role of polarization in the biological activity of Electromagnetic Fields (EMFs)/Electromagnetic Radiation (EMR). All types of man-made EMFs/EMR - in contrast to natural EMFs/EMR - are polarized. Polarized EMFs/EMR can have increased biological activity, due to: 1) Ability to produce constructive interference effects and amplify their intensities at many locations. 2) Ability to force all charged/polar molecules and especially free ions within and around all living cells to oscillate on parallel planes and in phase with the applied polarized field. Such ionic forced-oscillations exert additive electrostatic forces on the sensors of cell membrane electro-sensitive ion channels, resulting in their irregular gating and consequent disruption of the cell’s electrochemical balance. These features render man-made EMFs/EMR more bioactive than natural non-ionizing EMFs/EMR. This explains the increasing number of biological effects discovered during the past few decades to be induced by man-made EMFs, in contrast to natural EMFs in the terrestrial environment which have always been present throughout evolution, although human exposure to the latter ones is normally of significantly higher intensities/energy and longer durations. Thus, polarization seems to be a trigger that significantly increases the probability for the initiation of biological/health effects.

Consistent View of Protein Fluctuations from All-Atom Molecular Dynamics and Coarse-Grained Dynamics with Knowledge-Based Force-Field.

PubMed

Jamroz, Michal; Orozco, Modesto; Kolinski, Andrzej; Kmiecik, Sebastian

2013-01-08

It is widely recognized that atomistic Molecular Dynamics (MD), a classical simulation method, captures the essential physics of protein dynamics. That idea is supported by a theoretical study showing that various MD force-fields provide a consensus picture of protein fluctuations in aqueous solution [Rueda, M. et al. Proc. Natl. Acad. Sci. U.S.A. 2007, 104, 796-801]. However, atomistic MD cannot be applied to most biologically relevant processes due to its limitation to relatively short time scales. Much longer time scales can be accessed by properly designed coarse-grained models. We demonstrate that the aforementioned consensus view of protein dynamics from short (nanosecond) time scale MD simulations is fairly consistent with the dynamics of the coarse-grained protein model - the CABS model. The CABS model employs stochastic dynamics (a Monte Carlo method) and a knowledge-based force-field, which is not biased toward the native structure of a simulated protein. Since CABS-based dynamics allows for the simulation of entire folding (or multiple folding events) in a single run, integration of the CABS approach with all-atom MD promises a convenient (and computationally feasible) means for the long-time multiscale molecular modeling of protein systems with atomistic resolution.

Perpendicular momentum input of lower hybrid waves and its influence on driving plasma rotation.

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

Guan, Xiaoyin

The mechanism of perpendicular momentum input of lower hybrid waves and its influence on plasma rotation are studied. Discussion for parallel momentum input of lower hybrid waves is presented for comparison. It is found out that both toroidal and poloidal projections of perpendicular momentum input of lower hybrid waves are stronger than those of parallel momentum input. The perpendicular momentum input of lower hybrid waves therefore plays a dominant role in forcing the changes of rotation velocity observed during lower hybrid current drive. Lower hybrid waves convert perpendicular momentum carried by the waves into the momentum of dc electromagnetic fieldmore » by inducing a resonant-electron flow across flux surfaces therefore charge separation and a radial dc electric field. The dc field releases its momentum into plasma through the Lorentz force acting on the radial return current driven by the radial electric field. Plasma is spun up by the Lorentz force. An improved quasilinear theory with gyro-phase dependent distribution function is developed to calculate the radial flux of resonant electrons. Rotations are determined by a set of fluid equations for bulk electrons and ions, which are solved numerically by applying a finite-difference method. Analytical expressions for toroidal and poloidal rotations are derived using the same hydrodynamic model.« less

Calculation of Host-Guest Binding Affinities Using a Quantum-Mechanical Energy Model.

PubMed

Muddana, Hari S; Gilson, Michael K

2012-06-12

The prediction of protein-ligand binding affinities is of central interest in computer-aided drug discovery, but it is still difficult to achieve a high degree of accuracy. Recent studies suggesting that available force fields may be a key source of error motivate the present study, which reports the first mining minima (M2) binding affinity calculations based on a quantum mechanical energy model, rather than an empirical force field. We apply a semi-empirical quantum-mechanical energy function, PM6-DH+, coupled with the COSMO solvation model, to 29 host-guest systems with a wide range of measured binding affinities. After correction for a systematic error, which appears to derive from the treatment of polar solvation, the computed absolute binding affinities agree well with experimental measurements, with a mean error 1.6 kcal/mol and a correlation coefficient of 0.91. These calculations also delineate the contributions of various energy components, including solute energy, configurational entropy, and solvation free energy, to the binding free energies of these host-guest complexes. Comparison with our previous calculations, which used empirical force fields, point to significant differences in both the energetic and entropic components of the binding free energy. The present study demonstrates successful combination of a quantum mechanical Hamiltonian with the M2 affinity method.

Continuous particle separation using pressure-driven flow-induced miniaturizing free-flow electrophoresis (PDF-induced μ-FFE).

PubMed

Jeon, Hyungkook; Kim, Youngkyu; Lim, Geunbae

2016-01-28

In this paper, we introduce pressure-driven flow-induced miniaturizing free-flow electrophoresis (PDF-induced μ-FFE), a novel continuous separation method. In our separation system, the external flow and electric field are applied to particles, such that particle movement is affected by pressure-driven flow, electroosmosis, and electrophoresis. We then analyzed the hydrodynamic drag force and electrophoretic force applied to the particles in opposite directions. Based on this analysis, micro- and nano-sized particles were separated according to their electrophoretic mobilities with high separation efficiency. Because the separation can be achieved in a simple T-shaped microchannel, without the use of internal electrodes, it offers the advantages of low-cost, simple device fabrication and bubble-free operation, compared with conventional μ-FFE methods. Therefore, we expect the proposed separation method to have a wide range of filtering/separation applications in biochemical analysis.

Continuous particle separation using pressure-driven flow-induced miniaturizing free-flow electrophoresis (PDF-induced μ-FFE)

PubMed Central

Jeon, Hyungkook; Kim, Youngkyu; Lim, Geunbae

2016-01-01

In this paper, we introduce pressure-driven flow-induced miniaturizing free-flow electrophoresis (PDF-induced μ-FFE), a novel continuous separation method. In our separation system, the external flow and electric field are applied to particles, such that particle movement is affected by pressure-driven flow, electroosmosis, and electrophoresis. We then analyzed the hydrodynamic drag force and electrophoretic force applied to the particles in opposite directions. Based on this analysis, micro- and nano-sized particles were separated according to their electrophoretic mobilities with high separation efficiency. Because the separation can be achieved in a simple T-shaped microchannel, without the use of internal electrodes, it offers the advantages of low-cost, simple device fabrication and bubble-free operation, compared with conventional μ-FFE methods. Therefore, we expect the proposed separation method to have a wide range of filtering/separation applications in biochemical analysis. PMID:26819221

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.

Load estimation from photoelastic fringe patterns under combined normal and shear forces

NASA Astrophysics Data System (ADS)

Dubey, V. N.; Grewal, G. S.

2009-08-01

Recently there has been some spurt of interests to use photoelastic materials for sensing applications. This has been successfully applied for designing a number of signal-based sensors, however, there have been limited efforts to design image-based sensors on photoelasticity which can have wider applications in term of actual loading and visualisation. The main difficulty in achieving this is the infinite loading conditions that may generate same image on the material surface. This, however, can be useful for known loading situations as this can provide dynamic and actual conditions of loading in real time. This is particularly useful for separating components of forces in and out of the loading plane. One such application is the separation of normal and shear forces acting on the plantar surface of foot of diabetic patients for predicting ulceration. In our earlier work we have used neural networks to extract normal force information from the fringe patterns using image intensity. This paper considers geometric and various other statistical parameters in addition to the image intensity to extract normal as well as shear force information from the fringe pattern in a controlled experimental environment. The results of neural network output with the above parameters and their combinations are compared and discussed. The aim is to generalise the technique for a range of loading conditions that can be exploited for whole-field load visualisation and sensing applications in biomedical field.

An Advanced Actuator Line Method for Wind Energy Applications and Beyond

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

Churchfield, Matthew J.; Schreck, Scott; Martinez-Tossas, Luis A.

The actuator line method to represent rotor aerodynamics within computational fluid dynamics has been in use for over a decade. This method applies a body force to the flow field along rotating lines corresponding to the individual rotor blades and employs tabular airfoil data to compute the force distribution. The actuator line method is attractive because compared to blade-resolved simulations, the required mesh is much simpler and the computational cost is lower. This work proposes a higher fidelity variant of the actuator line method meant to fill the space between current actuator line and blade-resolved simulations. It contains modifications inmore » two key areas. The first is that of freestream velocity vector estimation along the line, which is necessary to compute the lift and drag along the line using tabular airfoil data. Most current methods rely on point sampling in which the location of sampling is ambiguous. Here we test a velocity sampling method that uses a properly weighted integral over space, removing this ambiguity. The second area of improvement is the function used to project the one-dimensional actuator line force onto the three-dimensional fluid mesh as a body force. We propose and test a projection function that spreads the force over a region that looks something like a real blade with the hope that it will produce the blade local and near wake flow features with more accuracy and higher fidelity. Our goal is that between these two improvements, not only will the flow field predictions be enhanced, but also the spanwise loading will be made more accurate. We refer to this combination of improvements as the advanced actuator line method. We apply these improvements to two different wind turbine cases. Although there is a strong wind energy motivation in our work, there is no reason these advanced actuator line ideas cannot be used in other applications, such as helicopter rotors.« less