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At least 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Nonlinear vs. linear biasing in Trp-cage folding simulations

Biased simulations have great potential for the study of slow processes, including protein folding. Atomic motions in molecules are nonlinear, which suggests that simulations with enhanced sampling of collective motions traced by nonlinear dimensionality reduction methods may perform better than linear ones. In this study, we compare an unbiased folding simulation of the Trp-cage miniprotein with metadynamics simulations using both linear (principle component analysis) and nonlinear (Isomap) low dimensional embeddings as collective variables. Folding of the mini-protein was successfully simulated in 200 ns simulation with linear biasing and non-linear motion biasing. The folded state was correctly predicted as the free energy minimum in both simulations. We found that the advantage of linear motion biasing is that it can sample a larger conformational space, whereas the advantage of nonlinear motion biasing lies in slightly better resolution of the resulting free energy surface. In terms of sampling efficiency, both methods are comparable.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

On the nonlinear stability of a quasi-two-dimensional drift kinetic model for ion temperature gradient turbulence

We study a quasi-two-dimensional electrostatic drift kinetic system as a model for near-marginal ion temperature gradient driven turbulence. A proof is given for the nonlinear stability of this system under conditions of linear stability. This proof is achieved using a transformation that diagonalizes the linear dynamics and also commutes with nonlinear E × B advection. For the case when linear instability is present, a corollary is found that forbids nonlinear energy transfer between appropriately defined sets of stable and unstable modes. It is speculated that this may explain the preservation of linear eigenmodes in nonlinear gyrokinetic simulations. Based on this property, a dimensionally reduced (∞×∞→1) system is derived that may be useful for understanding dynamics around the critical gradient of Dimits.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

A nonlinear multi-mode wideband piezoelectric vibration-based energy harvester using compliant orthoplanar spring

In this paper, a nonlinear wideband multi-mode piezoelectric vibration-based energy harvester (PVEH) is proposed based on a compliant orthoplanar spring (COPS), which has an advantage of providing multiple vibration modes at relatively low frequencies. The PVEH is made of a tri-leg COPS flexible structure, where three fixed-guided beams are capable of generating strong nonlinear oscillations under certain base excitation. A prototype harvester was fabricated and investigated through both finite-element analysis and experiments. The frequency response shows multiple resonance which corresponds to a hardening type of nonlinear resonance. By adding masses at different locations on the COPS structure, the first three vibration modes are brought close to each other, where the three hardening nonlinear resonances provide a wide bandwidth for the PVEH. The proposed PVEH has enhanced performance of the energy harvester in terms of a wide frequency bandwidth and a high-voltage output under base excitations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

On a theory of stability for nonlinear stochastic chemical reaction networks

We present elements of a stability theory for small, stochastic, nonlinear chemical reaction networks. Steady state probability distributions are computed with zero-information (ZI) closure, a closure algorithm that solves chemical master equations of small arbitrary nonlinear reactions. Stochastic models can be linearized around the steady state with ZI-closure, and the eigenvalues of the Jacobian matrix can be readily computed. Eigenvalues govern the relaxation of fluctuation autocorrelation functions at steady state. Autocorrelation functions reveal the time scales of phenomena underlying the dynamics of nonlinear reaction networks. In accord with the fluctuation-dissipation theorem, these functions are found to be congruent to response functions to small perturbations. Significant differences are observed in the stability of nonlinear reacting systems between deterministic and stochastic modeling formalisms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Self-focusing of electromagnetic surface waves on a nonlinear impedance surface

The self-focusing effect of optical beams has been a popular topic of study for quite a while, but such a nonlinear phenomenon at microwave frequencies has never been realized, partially due to the underdevelopment of nonlinear material. In this research, self-focused electromagnetic (EM) surface waves are demonstrated on a circuit-based, power-dependent impedance surface. The formation of a self-focused beam is investigated using a series of discrete-time simulations, and the result is further validated in measurement. It is experimentally observed that, in contrast to the normal scattering of low-power surface waves, high-power waves propagate through the surface while maintaining narrow beam width, and even converge extremely tightly to create a hot spot with higher power. The result is essentially a nonlinear effect of the surface that compensates for the natural tendency of surface waves to diffract. This intriguing experiment can be extended to various potential EM applications such as power-dependent beam steering antennas and nonlinear microwave propagation or dissipation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Improved linearity in AlGaN/GaN metal-insulator-semiconductor high electron mobility transistors with nonlinear polarization dielectric

We demonstrate highly improved linearity in a nonlinear ferroelectric of Pb(Zr{sub 0.52}Ti{sub 0.48})-gated AlGaN/GaN metal-insulator-semiconductor high electron mobility transistor (MIS-HEMT). Distinct double-hump feature in the transconductance-gate voltage (g{sub m}-V{sub g}) curve is observed, yielding remarkable enhancement in gate voltage swing as compared to MIS-HEMT with conventional linear gate dielectric. By incorporating the ferroelectric polarization into a self-consistent calculation, it is disclosed that in addition to the common hump corresponding to the onset of electron accumulation, the second hump at high current level is originated from the nonlinear polar nature of ferroelectric, which enhances the gate capacitance by increasing equivalent dielectric constant nonlinearly. This work paves a way for design of high linearity GaN MIS-HEMT by exploiting the nonlinear properties of dielectric.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Nonlinear Alfvén wave dynamics in plasmas

Nonlinear Alfvén wave dynamics is presented using Lagrangian fluid approach in a compressible collisional magnetized plasma. In the framework of two fluid dynamics, finite electron inertia is shown to serve as a dispersive effect acting against the convective nonlinearity. In a moving frame, the Alfvén wave can, therefore, form an arbitrarily strong amplitude solitary wave structure due to the balance between nonlinearity and dispersion. Weak amplitude Alfvén waves are shown to be governed by a modified KdV equation, which extends for finite dissipation to a mKdV-Burgers equation. These equations have well known solutions. Next, we have analyzed the fourth order nonlinear Alfvén wave system of equations both numerically and by approximation method. The results indicate a collapse of the density and magnetic field irrespective of the presence of dispersion. The wave magnetic field, however, appears to be less singular showing collapse only when the dispersive effects are negligible. These results may contribute to our understanding of the generation of strongly localized magnetic fields (and currents) in plasmas and are expected to be of special importance in the astrophysical context of magnetic star formation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Nonlinear modes of an intense laser beam interacting with a periodic lattice of nanoparticle

Self-guided nonlinear propagation of an intense laser beam through a periodic lattice of nanoparticle is studied. Using a perturbative method, a cubic nonlinear wave equation describing the laser-nanoparticle interaction in the weakly relativistic regime is derived. Transverse Eigen modes of the laser, nonlinear dispersion relation and its related group velocity are obtained. It is shown that the best fitted function to the transverse profile is Gaussian. Effect of the laser amplitude and also the ratio of nanoparticles radius to their separation on the nonlinear dispersion and amplitude profiles are investigated. It is found that the increase in the just mentioned parameters leads to the localization of transverse profile around the propagation axis.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Wave excitation by nonlinear coupling among shear Alfvén waves in a mirror-confined plasma

A shear Alfvén wave at slightly below the ion-cyclotron frequency overcomes the ion-cyclotron damping and grows because of the strong anisotropy of the ion temperature in the magnetic mirror configuration, and is called the Alfvén ion-cyclotron (AIC) wave. Density fluctuations caused by the AIC waves and the ion-cyclotron range of frequencies (ICRF) waves used for ion heating have been detected using a reflectometer in a wide radial region of the GAMMA 10 tandem mirror plasma. Various wave-wave couplings are clearly observed in the density fluctuations in the interior of the plasma, but these couplings are not so clear in the magnetic fluctuations at the plasma edge when measured using a pick-up coil. A radial dependence of the nonlinearity is found, particularly in waves with the difference frequencies of the AIC waves; bispectral analysis shows that such wave-wave coupling is significant near the core, but is not so evident at the periphery. In contrast, nonlinear coupling with the low-frequency background turbulence is quite distinct at the periphery. Nonlinear coupling associated with the AIC waves may play a significant role in the beta- and anisotropy-limits of a mirror-confined plasma through decay of the ICRF heating power and degradation of the plasma confinement by nonlinearly generated waves.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Nonlinear regimes of forced magnetic reconnection

This letter presents a self-consistent description of nonlinear forced magnetic reconnection in Taylor's model of this process. If external boundary perturbation is strong enough, nonlinearity in the current sheet evolution becomes important before resistive effects come into play. This terminates the current sheet shrinking that takes place at the linear stage and brings about its nonlinear equilibrium with a finite thickness. Then, in theory, this equilibrium is destroyed by a finite plasma resistivity during the skin-time, and further reconnection proceeds in the Rutherford regime. However, realization of such a scenario is unlikely because of the plasmoid instability, which is fast enough to develop before the transition to the Rutherford phase occurs. The suggested analytical theory is entirely different from all previous studies and provides proper interpretation of the presently available numerical simulations of nonlinear forced magnetic reconnection.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

A general one-dimension nonlinear magneto-elastic coupled constitutive model for magnetostrictive materials

For magnetostrictive rods under combined axial pre-stress and magnetic field, a general one-dimension nonlinear magneto-elastic coupled constitutive model was built in this paper. First, the elastic Gibbs free energy was expanded into polynomial, and the relationship between stress and strain and the relationship between magnetization and magnetic field with the polynomial form were obtained with the help of thermodynamic relations. Then according to microscopic magneto-elastic coupling mechanism and some physical facts of magnetostrictive materials, a nonlinear magneto-elastic constitutive with concise form was obtained when the relations of nonlinear strain and magnetization in the polynomial constitutive were instead with transcendental functions. The comparisons between the prediction and the experimental data of different magnetostrictive materials, such as Terfenol-D, Metglas and Ni showed that the predicted magnetostrictive strain and magnetization curves were consistent with experimental results under different pre-stresses whether in the region of low and moderate field or high field. Moreover, the model can fully reflect the nonlinear magneto-mechanical coupling characteristics between magnetic, magnetostriction and elasticity, and it can effectively predict the changes of material parameters with pre-stress and bias field, which is useful in practical applications.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Enhanced focus steering abilities of multi-element therapeutic arrays operating in nonlinear regimes

Steering abilities of a typical HIFU therapeutic array operated in linear and nonlinear regimes were compared using numerical simulation with the 3D Westervelt equation. The array included 256 elements of 1.2 MHz frequency and 6.6 mm diameter distributed in a quasi-random pattern over a spherical shell with a 130 mm aperture and a focal length of 120 mm. In the case of linear focusing, thermal effects are proportional to the intensity level and the criterion for safe array operation is that the intensity in the grating lobes should be less than 10% of the intensity in the main focus. In the case of nonlinear focusing, the heating effect is no longer proportional to intensity; therefore the heat deposition rate was chosen as the relevant metric, using the same 10% threshold for the secondary lobe in comparison with the focal maximum. When steering the focus, the same linearly predicted intensity level at the main focus was maintained by increasing the array power. Numerical simulations of the acoustic field were performed for nonlinear propagation both in water and in tissue. It was shown that for shock-forming conditions in the main focus, the steering range of safe electronic focusing is larger than that for linear propagation conditions. Nonlinear sonication regimes therefore can be used to enlarge tissue volumes that can be sonicated using electronic steering of the focus of HIFU arrays.

42 ENGINEERING↗
DOE OSTI2015

Three dimensional full-wave nonlinear acoustic simulations: Applications to ultrasound imaging

Characterization of acoustic waves that propagate nonlinearly in an inhomogeneous medium has significant applications to diagnostic and therapeutic ultrasound. The generation of an ultrasound image of human tissue is based on the complex physics of acoustic wave propagation: diffraction, reflection, scattering, frequency dependent attenuation, and nonlinearity. The nonlinearity of wave propagation is used to the advantage of diagnostic scanners that use the harmonic components of the ultrasonic signal to improve the resolution and penetration of clinical scanners. One approach to simulating ultrasound images is to make approximations that can reduce the physics to systems that have a low computational cost. Here a maximalist approach is taken and the full three dimensional wave physics is simulated with finite differences. This paper demonstrates how finite difference simulations for the nonlinear acoustic wave equation can be used to generate physically realistic two and three dimensional ultrasound images anywhere in the body. A specific intercostal liver imaging scenario for two cases: with the ribs in place, and with the ribs removed. This configuration provides an imaging scenario that cannot be performed in vivo but that can test the influence of the ribs on image quality. Several imaging properties are studied, in particular the beamplots, the spatial coherence at the transducer surface, the distributed phase aberration, and the lesion detectability for imaging at the fundamental and harmonic frequencies. The results indicate, counterintuitively, that at the fundamental frequency the beamplot improves due to the apodization effect of the ribs but at the same time there is more degradation from reverberation clutter. At the harmonic frequency there is significantly less improvement in the beamplot and also significantly less degradation from reverberation. It is shown that even though simulating the full propagation physics is computationally challenging it is necessary to quantify ultrasound image quality and its sources of degradation.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Numerical modelling of nonlinear full-wave acoustic propagation

The various model equations of nonlinear acoustics are arrived at by making assumptions which permit the observation of the interaction with propagation of either single or joint effects. We present here a form of the conservation equations of fluid dynamics which are deduced using slightly less restrictive hypothesis than those necessary to obtain the well known Westervelt equation. This formulation accounts for full wave diffraction, nonlinearity, and thermoviscous dissipative effects. A two-dimensional, finite-volume method using Roe’s linearisation has been implemented to obtain numerically the solution of the proposed equations. This code, which has been written for parallel execution on a GPU, can be used to describe moderate nonlinear phenomena, at low Mach numbers, in domains as large as 100 wave lengths. Applications range from models of diagnostic and therapeutic HIFU, to parametric acoustic arrays and nonlinear propagation in acoustic waveguides. Examples related to these applications are shown and discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Nonlinear mode coupling and internal resonances in MoS{sub 2} nanoelectromechanical system

Atomically thin two dimensional (2D) layered materials have emerged as a new class of material for nanoelectromechanical systems (NEMS) due to their extraordinary mechanical properties and ultralow mass density. Among them, graphene has been the material of choice for nanomechanical resonator. However, recent interest in 2D chalcogenide compounds has also spurred research in using materials such as MoS{sub 2} for the NEMS applications. As the dimensions of devices fabricated using these materials shrink down to atomically thin membrane, strain and nonlinear effects have become important. A clear understanding of the nonlinear effects and the ability to manipulate them is essential for next generation sensors. Here, we report on all electrical actuation and detection of few-layer MoS{sub 2} resonator. The ability to electrically detect multiple modes and actuate the modes deep into the nonlinear regime enables us to probe the nonlinear coupling between various vibrational modes. The modal coupling in our device is strong enough to detect three distinct internal resonances.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Electrically tunable optical bistability based on one-dimensional photonic crystals with nonlinear nanocomposite materials

A one-dimensional photonic crystal structure with a nonlinear metal-dielectric nanocomposite defect layer is proposed to control the optical bistability (OB) of the transmitted wave by tuning the externally applied dc electric field. Using the transfer matrix method for dielectric layers and solving the Helmholtz nonlinear equation in the nonlinear composite layer, the linear transmittance spectrum and the nonlinear transmission curve are illustrated graphically for different applied fields. A field-dependent defect mode is observed in the linear transmittance spectrum. Consequently, the OB switch-up and -down thresholds can be manipulated via the applied field intensity. Due to the field dependence of composite layer refractive index, the physical response of the observation is the dynamical shifting of the defect mode. Moreover, it is shown that the volume fraction, shape, and type of the embedded nanoparticles as well as the kind of the dielectric host have large influences on the OB threshold. The proposed structure has significant potential applications in optical integrated devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Nonlinear evolution of the Kelvin-Helmholtz instability in the double current sheet configuration

The nonlinear evolution of the Kelvin-Helmholtz (KH) instability driven by a radially antisymmetric shear flow in the double current sheet configuration is numerically investigated based on a reduced magnetohydrodynamic model. Simulations reveal different nonlinear fate of the KH instability depending on the amplitude of the shear flow, which restricts the strength of the KH instability. For strong shear flows far above the KH instability threshold, the linear electrostatic-type KH instability saturates and achieves a vortex flow dominated quasi-steady state of the electromagnetic (EM) KH turbulence with large-amplitude zonal flows as well as zonal fields. The magnetic surfaces are twisted significantly due to strong vortices but without the formation of magnetic islands. However, for the shear flow just over the KH instability threshold, a weak EM-type KH instability is saturated and remarkably damped by zonal flows through modifying the equilibrium shear flow. Interestingly, a secondary double tearing mode (DTM) is excited subsequently in highly damped KH turbulence, behaving as a pure DTM in a flowing plasma as described in Mao et al. [Phys. Plasmas 21, 052304 (2014)]. However, the explosive growth phenomenon is replaced by a gradually growing oscillation due to the extremely twisted islands. As a result, the release of the magnetic energy becomes slow and the global magnetic reconnection tends to be gentle. A complex nonlinear interaction between the EM KH turbulence and the DTMs occurs for the medium shear flows above the KH instability threshold, turbulent EM fluctuations experience oscillatory nonlinear growth of the DTMs, finally achieves a quasi-steady state with the interplay of the fluctuations between the DTMs and the EM KH instability.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Linear and nonlinear optical properties of SrBi{sub 4}Ti{sub 4}O{sub 15} thin films

Polycrystalline SrBi{sub 4}Ti{sub 4}O{sub 15} thin films with good morphology and layered perovskite structure were fabricated on fused silica substrates using r f magnetron sputtering system at various oxygen mixing percentages (25 and 50). The crystallite sizes of the particles are in 17-28 nm range. The Nonlinear optical properties were investigated by using Z-scan method at a wavelength of 800 nm with 2 ps duration pulses. The films exhibit the fast and giant optical nonlinearities having the two-photon absorption coefficient (β) with magnitude of 10{sup −8}-10{sup −9} cm/W and the nonlinear refraction coefficient of ∼10{sup −12} cm{sup 2}/W. These results indicate SrBi{sub 4}Ti{sub 4}O{sub 15} thin films are promising candidates for applications in nonlinear optical and optical signal processing devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗