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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Experimental and numerical study of plastic shear instability under high-speed loading conditions

The behavior of specimens dynamically loaded during the split Hopkinson (Kolsky) bar tests in a regime close to simple shear conditions was studied. The lateral surface of the specimens was investigated in a real-time mode with the aid of a high-speed infra-red camera CEDIP Silver 450M. The temperature field distribution obtained at different time made it possible to trace the evolution of plastic strain localization. The process of target perforation involving plug formation and ejection was examined using a high-speed infra-red camera and a VISAR velocity measurement system. The microstructure of tested specimens was analyzed using an optical interferometer-profilometer and a scanning electron microscope. The development of plastic shear instability regions has been simulated numerically.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Large scale electromechanical transistor with application in mass sensing

Nanomechanical transistor (NMT) has evolved from the single electron transistor, a device that operates by shuttling electrons with a self-excited central conductor. The unfavoured aspects of the NMT are the complexity of the fabrication process and its signal processing unit, which could potentially be overcome by designing much larger devices. This paper reports a new design of large scale electromechanical transistor (LSEMT), still taking advantage of the principle of shuttling electrons. However, because of the large size, nonlinear electrostatic forces induced by the transistor itself are not sufficient to drive the mechanical member into vibration—an external force has to be used. In this paper, a LSEMT device is modelled, and its new application in mass sensing is postulated using two coupled mechanical cantilevers, with one of them being embedded in the transistor. The sensor is capable of detecting added mass using the eigenstate shifts method by reading the change of electrical current from the transistor, which has much higher sensitivity than conventional eigenfrequency shift approach used in classical cantilever based mass sensors. Numerical simulations are conducted to investigate the performance of the mass sensor.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Numerical simulation to study the transient self focusing of laser beam in plasma

In this paper, we present the numerical simulation for the coupled system of equations governing the dynamics of laser and Ion Acoustic Wave (IAW) in a collisionless plasma, when the coupling between the waves is through ponderomotive non-linearity. The nonlinear evolution of the laser beam is studied when the pump laser is perturbed by a periodic perturbation. By changing the perturbation wave number, we have studied its effect on the nonlinear evolution pattern of laser beam. In order to have a physical insight into the nonlinear dynamics of laser beam evolution in time and space, we have studied the laser and IAW spectra containing spatial harmonics. The magnitude of these harmonics changes with time and leads to time dependent localization of laser beam in spatial domain. The nonlinear dynamics of this localization is investigated in detail by using simulation and a semi-analytical model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Cosmic rays muon flux measurements at Belgrade shallow underground laboratory

The Belgrade underground laboratory is a shallow underground one, at 25 meters of water equivalent. It is dedicated to low-background spectroscopy and cosmic rays measurement. Its uniqueness is that it is composed of two parts, one above ground, the other bellow with identical sets of detectors and analyzing electronics thus creating opportunity to monitor simultaneously muon flux and ambient radiation. We investigate the possibility of utilizing measurements at the shallow depth for the study of muons, processes to which these muons are sensitive and processes induced by cosmic rays muons. For this purpose a series of simulations of muon generation and propagation is done, based on the CORSIKA air shower simulation package and GEANT4. Results show good agreement with other laboratories and cosmic rays stations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Finite element analysis of an extended end-plate connection using the T-stub approach

Beam-to-column end-plate bolted connections are usually used as moment-resistant connections in steel framed structures. For this joint type, the deformability is governed by the deformation capacity of the column flange and end-plate under tension and elongation of the bolts. All these elements around the beam tension flange form the tension region of the joint, which can be modeled by means of equivalent T-stubs. In this paper a beam-to-column end-plate bolted connection is substituted with a T-stub of appropriate effective length and it is analyzed using the commercially available finite element software ABAQUS. The performance of the model is validated by comparing the behavior of the T-stub from the numerical simulation with the behavior of the connection as a whole. The moment-rotation curve of the T-stub obtained from the numerical simulation is compared with the behavior of the whole extended end-plate connection, obtained by numerical simulation, experimental tests and analytical approach.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Nanoplasmonics simulations at the basis set limit through completeness-optimized, local numerical basis sets

We present an approach for generating local numerical basis sets of improving accuracy for first-principles nanoplasmonics simulations within time-dependent density functional theory. The method is demonstrated for copper, silver, and gold nanoparticles that are of experimental interest but computationally demanding due to the semi-core d-electrons that affect their plasmonic response. The basis sets are constructed by augmenting numerical atomic orbital basis sets by truncated Gaussian-type orbitals generated by the completeness-optimization scheme, which is applied to the photoabsorption spectra of homoatomic metal atom dimers. We obtain basis sets of improving accuracy up to the complete basis set limit and demonstrate that the performance of the basis sets transfers to simulations of larger nanoparticles and nanoalloys as well as to calculations with various exchange-correlation functionals. This work promotes the use of the local basis set approach of controllable accuracy in first-principles nanoplasmonics simulations and beyond.

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

Numerical simulation of viscoelastic layer rearrangement in polymer melts using OpenFOAM®

In addition to their shear-thinning behavior, polymer melts are characterized by first and second normal stress differences, which cause secondary motions. Polymer coextrusion processes involve viscoelastic two-phase flows that influence layer formation. Using polymer melts with different pigmentation makes visible the layers deformed by second normal stress differences. We used a new solver for the OpenFOAM CFD toolbox which handles viscoelastic two-phase flows. A derivative of the volume-of-fluid (VoF) methodology was employed to describe the interface. Different types of polymer melt, such as polyethylene (PE), polypropylene (PP) and polyethylene terephthalate (PET) were investigated. In a coextrusion process, the less viscous phase usually tends to encapsulate the more viscous one. However, the different viscoelastic properties of the melts also influence interface deformation. The materials were characterized by small-amplitude oscillatory-shear rheometry, and a multimode Giesekus model was used to fit shear viscosity, storage and loss modulus. Our simulations also took interfacial tension into account. Experimental observations and corresponding numerical simulations were found to be in good accordance.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Two-Yukawa fluid at a hard wall: Field theory treatment

We apply a field-theoretical approach to study the structure and thermodynamics of a two-Yukawa fluid confined by a hard wall. We derive mean field equations allowing for numerical evaluation of the density profile which is compared to analytical estimations. Beyond the mean field approximation, analytical expressions for the free energy, the pressure, and the correlation function are derived. Subsequently, contributions to the density profile and the adsorption coefficient due to Gaussian fluctuations are found. Both the mean field and the fluctuation terms of the density profile are shown to satisfy the contact theorem. We further use the contact theorem to improve the Gaussian approximation for the density profile based on a better approximation for the bulk pressure. The results obtained are compared to computer simulation data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Plasma absorption evidence via chirped pulse spectral transmission measurements

This work aims at highlighting the plasma generation dynamics and absorption when a Bessel beam propagates in glass. We developed a simple diagnostics allowing us to retrieve clear indications of the formation of the plasma in the material, thanks to transmission measurements in the angular and wavelength domains. This technique featured by the use of a single chirped pulse having the role of pump and probe simultaneously leads to results showing the plasma nonlinear absorption effect on the trailing part of the pulse, thanks to the spectral-temporal correspondence in the measured signal, which is also confirmed by numerical simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Inverse patchy colloids with two and three patches. Analytical and numerical study

We propose an analytical solution of the multi-density Ornstein-Zernike equation supplemented by the associative Percus-Yevick closure relations specifically designed to describe the equilibrium properties of the novel class of patchy colloidal particles represented by the inverse patchy colloids with arbitrary number of patches. Using Baxter’s factorization method, we reduce solution of the problem to the solution of one nonlinear algebraic equation for the fraction of the particles with one non-bonded patch. We present closed-form expressions for the structure (structure factor) and thermodynamic (internal energy) properties of the system in terms of this fraction (and parameters of the model). We perform computer simulation studies and compare theoretical and computer simulation predictions for the pair distribution function, internal energy, and number of single and double bonds formed in the system, for two versions of the model, each with two and three patches. We consider the models with formation of the double bonds blocked by the patch-patch repulsion and the models without patch-patch repulsion. In general very good agreement between theoretical and computer simulation results is observed.

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

One-dimensional magnetohydrodynamics of a cylindrical liner imploded by an azimuthal magnetic field and compressing an axial field

The one-dimensional magnetohydrodynamics of a plasma cylindrical liner is addressed in the case of a two components magnetic field. The azimuthal component is responsible for the implosion of the liner and the axial field is compressed inside the liner. A complete set of analytical profiles for the magnetic field components, the density, and the local velocity are proposed at the scale of the liner thickness. Numerical simulations are also presented to test the validity of the analytical formulas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Simulation of macromolecule self-assembly in solution: A multiscale approach

One of the most common processes to produce polymer nanoparticles is to induce self-assembly by using the solvent-displacement method, in which the polymer is dissolved in a “good” solvent and the solution is then mixed with an “anti-solvent”. The polymer ability to self-assemble in solution is therefore determined by its structural and transport properties in solutions of the pure solvents and at the intermediate compositions. In this work, we focus on poly-ε-caprolactone (PCL) which is a biocompatible polymer that finds widespread application in the pharmaceutical and biomedical fields, performing simulation at three different scales using three different computational tools: full atomistic molecular dynamics (MD), population balance modeling (PBM) and computational fluid dynamics (CFD). Simulations consider PCL chains of different molecular weight in solution of pure acetone (good solvent), of pure water (anti-solvent) and their mixtures, and mixing at different rates and initial concentrations in a confined impinging jets mixer (CIJM). Our MD simulations reveal that the nano-structuring of one of the solvents in the mixture leads to an unexpected identical polymer structure irrespectively of the concentration of the two solvents. In particular, although in pure solvents the behavior of the polymer is, as expected, very different, at intermediate compositions, the PCL chain shows properties very similar to those found in pure acetone as a result of the clustering of the acetone molecules in the vicinity of the polymer chain. We derive an analytical expression to predict the polymer structural properties in solution at different solvent compositions and use it to formulate an aggregation kernel to describe the self-assembly in the CIJM via PBM and CFD. Simulations are eventually validated against experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Multifractal moments in heavy ion Pb-Pb collisions at 158 A GeV

In present work, we use the method of scaled factorial moments to search for intermittent behavior in Pb-Pb interactions at 158 A GeV. The analysis is done on photon distributions obtained using preshower photon multiplicity detector. Scaled factorial moments are used to study short range fluctuations in pseudorapidity distributions of photons. Scaled factorial moments are calculated using horizontal corrected and vertical analysis. The results are compared with simulation analysis using VENUS event generator.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Extreme multistability in a memristor-based multi-scroll hyper-chaotic system

In this paper, a new memristor-based multi-scroll hyper-chaotic system is designed. The proposed memristor-based system possesses multiple complex dynamic behaviors compared with other chaotic systems. Various coexisting attractors and hidden coexisting attractors are observed in this system, which means extreme multistability arises. Besides, by adjusting parameters of the system, this chaotic system can perform single-scroll attractors, double-scroll attractors, and four-scroll attractors. Basic dynamic characteristics of the system are investigated, including equilibrium points and stability, bifurcation diagrams, Lyapunov exponents, and so on. In addition, the presented system is also realized by an analog circuit to confirm the correction of the numerical simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Hydrodynamic effects on β-amyloid (16-22) peptide aggregation

Computer simulations based on simplified representations are routinely used to explore the early steps of amyloid aggregation. However, when protein models with implicit solvent are employed, these simulations miss the effect of solvent induced correlations on the aggregation kinetics and lifetimes of metastable states. In this work, we apply the multi-scale Lattice Boltzmann Molecular Dynamics technique (LBMD) to investigate the initial aggregation phases of the amyloid Aβ{sub 16−22} peptide. LBMD includes naturally hydrodynamic interactions (HIs) via a kinetic on-lattice representation of the fluid kinetics. The peptides are represented by the flexible OPEP coarse-grained force field. First, we have tuned the essential parameters that control the coupling between the molecular and fluid evolutions in order to reproduce the experimental diffusivity of elementary species. The method is then deployed to investigate the effect of HIs on the aggregation of 100 and 1000 Aβ{sub 16−22} peptides. We show that HIs clearly impact the aggregation process and the fluctuations of the oligomer sizes by favouring the fusion and exchange dynamics of oligomers between aggregates. HIs also guide the growth of the leading largest cluster. For the 100 Aβ{sub 16−22} peptide system, the simulation of ∼300 ns allowed us to observe the transition from ellipsoidal assemblies to an elongated and slightly twisted aggregate involving almost the totality of the peptides. For the 1000 Aβ{sub 16−22} peptides, a system of unprecedented size at quasi-atomistic resolution, we were able to explore a branched disordered fibril-like structure that has never been described by other computer simulations, but has been observed experimentally.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Numerical simulation of optical vortex propagation and reflection by the methods of scalar diffraction theory

Using the equations of scalar diffraction theory we consider the formation of an optical vortex on a diffractive optical element. The algorithms are proposed for simulating the processes of propagation of spiral wavefronts in free space and their reflections from surfaces with different roughness parameters. The given approach is illustrated by the results of numerical simulations. (propagation of wave fronts)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

PLUTINO DETECTION BIASES, INCLUDING THE KOZAI RESONANCE

Because of their relative proximity within the trans-Neptunian region, the plutinos (objects in the 3:2 mean-motion resonance with Neptune) are numerous in flux-limited catalogs, and well-studied theoretically. We perform detailed modeling of the on-sky detection biases for plutinos, with special attention to those that are simultaneously in the Kozai resonance. In addition to the normal 3:2 resonant argument libration, Kozai plutinos also show periodic oscillations in eccentricity and inclination, coupled to the argument of perihelion ({omega}) oscillation. Due to the mean-motion resonance, plutinos avoid coming to pericenter near Neptune's current position in the ecliptic plane. Because Kozai plutinos are restricted to certain values of {omega}, perihelion always occurs out of the ecliptic plane, biasing ecliptic surveys against finding these objects. The observed Kozai plutino fraction f{sub koz}{sup obs} has been measured by several surveys, finding values between 8% and 25%, while the true Kozai plutino fraction f{sub koz}{sup true} has been predicted to be between 10% and 30% by different giant planet migration simulations. We show that f{sub koz}{sup obs} varies widely depending on the ecliptic latitude and longitude of the survey, so debiasing to find the true ratio is complex. Even a survey that covers most or all of the sky will detect an apparent Kozai fraction that is different from f{sub koz}{sup true}. We present a map of the on-sky plutino Kozai fraction that would be detected by all-sky flux-limited surveys. This will be especially important for the Panoramic Survey Telescope and Rapid Response System and Large Synoptic Survey Telescope projects, which may detect large numbers of plutinos as they sweep the sky. f{sub koz}{sup true} and the distribution of the orbital elements of Kozai plutinos may be a diagnostic of giant planet migration; future migration simulations should provide details on their resonant Kozai populations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Super massive black hole in galactic nuclei with tidal disruption of stars

Tidal disruption of stars by super massive central black holes from dense star clusters is modeled by high-accuracy direct N-body simulation. The time evolution of the stellar tidal disruption rate, the effect of tidal disruption on the stellar density profile, and, for the first time, the detailed origin of tidally disrupted stars are carefully examined and compared with classic papers in the field. Up to 128k particles are used in simulation to model the star cluster around a super massive black hole, and we use the particle number and the tidal radius of the black hole as free parameters for a scaling analysis. The transition from full to empty loss-cone is analyzed in our data, and the tidal disruption rate scales with the particle number, N, in the expected way for both cases. For the first time in numerical simulations (under certain conditions) we can support the concept of a critical radius of Frank and Rees, which claims that most stars are tidally accreted on highly eccentric orbits originating from regions far outside the tidal radius. Due to the consumption of stars moving on radial orbits, a velocity anisotropy is found inside the cluster. Finally we estimate the real galactic center based on our simulation results and the scaling analysis.

79 ASTRONOMY AND ASTROPHYSICS↗