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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 919 records · Page 51
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DOE OSTI2015

Breather management in the derivative nonlinear Schrödinger equation with variable coefficients

We investigate breather solutions of the generalized derivative nonlinear Schrödinger (DNLS) equation with variable coefficients, which is used in the description of femtosecond optical pulses in inhomogeneous media. The solutions are constructed by means of the similarity transformation, which reduces a particular form of the generalized DNLS equation into the standard one, with constant coefficients. Examples of bright and dark breathers of different orders, that ride on finite backgrounds and may be related to rogue waves, are presented. - Highlights: • Exact solutions of a generalized derivative NLS equation are obtained. • The solutions are produced by means of a transformation to the usual integrable equation. • The validity of the solutions is verified by comparing them to numerical counterparts. • Stability of the solutions is checked by means of direct simulations. • The model applies to the propagation of ultrashort pulses in optical media.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Numerical solution of the time dependent neutron transport equation by the method of the characteristics

This study presents three numerical algorithms to solve the time dependent neutron transport equation by the method of the characteristics. The algorithms have been developed taking into account delayed neutrons and they have been implemented into the novel MCART code, which solves the neutron transport equation for two-dimensional geometry and an arbitrary number of energy groups. The MCART code uses regular mesh for the representation of the spatial domain, it models up-scattering, and takes advantage of OPENMP and OPENGL algorithms for parallel computing and plotting, respectively. The code has been benchmarked with the multiplication factor results of a Boiling Water Reactor, with the analytical results for a prompt jump transient in an infinite medium, and with PARTISN and TDTORT results for cross section and source transients. The numerical simulations have shown that only two numerical algorithms are stable for small time steps.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2015

Second-order accurate interface- and discontinuity-aware diffusion solvers in two and three dimensions

A numerical scheme is developed for two- and three-dimensional time-dependent diffusion equations in numerical simulations involving mixed cells. The focus of the development is on the formulations for both transient and steady states, the property for large time steps, second-order accuracy in both space and time, the correct treatment of the discontinuity in material properties, and the handling of mixed cells. For a mixed cell, interfaces between materials are reconstructed within the cell so that each of resulting sub-cells contains only one material and the material properties of each sub-cell are known. Diffusion equations are solved on the resulting polyhedral mesh even if the original mesh is structured. The discontinuity of material properties between different materials is correctly treated based on governing physics principles. The treatment is exact for arbitrarily strong discontinuity. The formulae for effective diffusion coefficients across interfaces between materials are derived for general polyhedral meshes. The scheme is general in two and three dimensions. Since the scheme to be developed in this paper is intended for multi-physics code with adaptive mesh refinement (AMR), we present the scheme on mesh generated from AMR. The correctness and features of the scheme are demonstrated for transient problems and steady states in one-, two-, and three-dimensional simulations for heat conduction and radiation heat transfer. The test problems involve dramatically different materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

A mass-conserving lattice Boltzmann method with dynamic grid refinement for immiscible two-phase flows

A mass-conserving lattice Boltzmann method (LBM) for multiphase flows is presented in this paper. The proposed LBM improves a previous model (Lee and Liu, 2010 [21]) in terms of mass conservation, speed-up, and efficiency, and also extends its capabilities for implementation on non-uniform grids. The presented model consists of a phase-field lattice Boltzmann equation (LBE) for tracking the interface between different fluids and a pressure-evolution LBM for recovering the hydrodynamic properties. In addition to the mass conservation property and the simplicity of the algorithm, the advantages of the current phase-field LBE are that it is an order of magnitude faster than the previous interface tracking LBE proposed by Lee and Liu (2010) [21] and it requires less memory resources for data storage. Meanwhile, the pressure-evolution LBM is equipped with a multi-relaxation-time (MRT) collision operator to facilitate attainability of small relaxation rates thereby allowing simulation of multiphase flows at higher Reynolds numbers. Additionally, we reformulate the presented MRT-LBM on nonuniform grids within an adaptive mesh refinement (AMR) framework. Various benchmark studies such as a rising bubble and a falling drop under buoyancy, droplet splashing on a wet surface, and droplet coalescence onto a fluid interface are conducted to examine the accuracy and versatility of the proposed AMR-LBM. The proposed model is further validated by comparing the results with other LB models on uniform grids. A factor of about 20 in savings of computational resources is achieved by using the proposed AMR-LBM. As a more demanding application, the Kelvin–Helmholtz instability (KHI) of a shear-layer flow is investigated for both density-matched and density-stratified binary fluids. The KHI results of the density-matched fluids are shown to be in good agreement with the benchmark AMR results based on the sharp-interface approach. When a density contrast between the two fluids exists, a typical chaotic structure in the flow field is observed at a Reynolds number of 10000, which indicates that the proposed model is a promising tool for direct numerical simulation of two-phase flows.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

A fast platform for simulating semi-flexible fiber suspensions applied to cell mechanics

We present a novel platform for the large-scale simulation of three-dimensional fibrous structures immersed in a Stokesian fluid and evolving under confinement or in free-space in three dimensions. One of the main motivations for this work is to study the dynamics of fiber assemblies within biological cells. For this, we also incorporate the key biophysical elements that determine the dynamics of these assemblies, which include the polymerization and depolymerization kinetics of fibers, their interactions with molecular motors and other objects, their flexibility, and hydrodynamic coupling. This work, to our knowledge, is the first technique to include many-body hydrodynamic interactions (HIs), and the resulting fluid flows, in cellular assemblies of flexible fibers. We use non-local slender body theory to compute the fluid–structure interactions of the fibers and a second-kind boundary integral formulation for other rigid bodies and the confining boundary. A kernel-independent implementation of the fast multipole method is utilized for efficient evaluation of HIs. The deformation of the fibers is described by nonlinear Euler–Bernoulli beam theory and their polymerization is modeled by the reparametrization of the dynamic equations in the appropriate non-Lagrangian frame. We use a pseudo-spectral representation of fiber positions and implicit time-stepping to resolve large fiber deformations, and to allow time-steps not excessively constrained by temporal stiffness or fiber–fiber interactions. The entire computational scheme is parallelized, which enables simulating assemblies of thousands of fibers. We use our method to investigate two important questions in the mechanics of cell division: (i) the effect of confinement on the hydrodynamic mobility of microtubule asters; and (ii) the dynamics of the positioning of mitotic spindle in complex cell geometries. Finally to demonstrate the general applicability of the method, we simulate the sedimentation of a cloud of semi-flexible fibers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Error correction in multi-fidelity molecular dynamics simulations using functional uncertainty quantification

We use functional, Fréchet, derivatives to quantify how thermodynamic outputs of a molecular dynamics (MD) simulation depend on the potential used to compute atomic interactions. Our approach quantifies the sensitivity of the quantities of interest with respect to the input functions as opposed to its parameters as is done in typical uncertainty quantification methods. We show that the functional sensitivity of the average potential energy and pressure in isothermal, isochoric MD simulations using Lennard–Jones two-body interactions can be used to accurately predict those properties for other interatomic potentials (with different functional forms) without re-running the simulations. This is demonstrated under three different thermodynamic conditions, namely a crystal at room temperature, a liquid at ambient pressure, and a high pressure liquid. The method provides accurate predictions as long as the change in potential can be reasonably described to first order and does not significantly affect the region in phase space explored by the simulation. The functional uncertainty quantification approach can be used to estimate the uncertainties associated with constitutive models used in the simulation and to correct predictions if a more accurate representation becomes available.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Shape of isolated domains in lithium tantalate single crystals at elevated temperatures

The shape of isolated domains has been investigated in congruent lithium tantalate (CLT) single crystals at elevated temperatures and analyzed in terms of kinetic approach. The obtained temperature dependence of the growing domain shape in CLT including circular shape at temperatures above 190 °C has been attributed to increase of relative input of isotropic ionic conductivity. The observed nonstop wall motion and independent domain growth after merging in CLT as opposed to stoichiometric lithium tantalate have been attributed to difference in wall orientation. The computer simulation has confirmed applicability of the kinetic approach to the domain shape explanation.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Physical properties and analytical models of band-to-band tunneling in low-bandgap semiconductors

Low-bandgap semiconductors, such as InAs and InSb, are widely considered to be ideal for use in tunnel field-effect transistors to ensure sufficient on-current boosting at low voltages. This work elucidates the physical and mathematical considerations of applying conventional band-to-band tunneling models in low-bandgap semiconductors, and presents a new analytical alternative for practical use. The high-bandgap tunneling generates most at maximum field region with shortest tunnel path, whereas the low-bandgap generations occur dispersedly because of narrow tunnel barrier. The local electrical field associated with tunneling-electron numbers dominates in low-bandgap materials. This work proposes decoupled electric-field terms in the pre-exponential factor and exponential function of generation-rate expressions. Without fitting, the analytical results and approximated forms exhibit great agreements with the sophisticated forms both in high- and low-bandgap semiconductors. Neither nonlocal nor local field is appropriate to be used in numerical simulations for predicting the tunneling generations in a variety of low- and high-bandgap semiconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Current induced perpendicular-magnetic-anisotropy racetrack memory with magnetic field assistance

High current density is indispensable to shift domain walls (DWs) in magnetic nanowires, which limits the using of racetrack memory (RM) for low power and high density purposes. In this paper, we present perpendicular-magnetic-anisotropy (PMA) Co/Ni RM with global magnetic field assistance, which lowers the current density for DW motion. By using a compact model of PMA RM and 40 nm design kit, we perform mixed simulation to validate the functionality of this structure and analyze its density potential. Stochastic DW motion behavior has been taken into account and statistical Monte-Carlo simulations are carried out to evaluate its reliability performance.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Experimental and numerical study of high order Stokes lines in Brillouin-erbium fiber laser

We experimentally study the dependences of high-order Stokes lines on the erbium-doped fiber (EDF) pump power P{sub EDF}, the Brillouin pump (BP) power P{sub BP}, and its working wavelength in a multiwavelength Brillouin erbium-doped fiber laser (MBEFL). By using the rate and propagation equations, and the coupled wave equations of stimulated Brillouin scattering, we establish a lumped model to describe the MBEFL. Numerical simulations show that the number of Stokes lines can be increased by decreasing the spacing between the BP wavelength and the EDF peak gain or P{sub BP} as long as it is larger than a critical value P{sub BP}{sup (cr)}=1.7 mW, or by increasing P{sub EDF} without reaching a saturation value P{sub EDF}{sup (cr)}=250 mW. However, when P{sub BP} and P{sub EDF} are varied beyond P{sub BP}{sup (cr)} and P{sub EDF}{sup (cr)}, respectively, the number of Stokes lines is reduced, accompanied by some self-lasing cavity modes. These results by numerical simulation are consistent with experimental observations from the MBEFL.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Radio frequency regenerative oscillations in monolithic high-Q/V heterostructured photonic crystal cavities

We report temporal and spectral domain observation of regenerative oscillation in monolithic silicon heterostructured photonic crystals cavities with high quality factor to mode volume ratios (Q/V). The results are interpreted by nonlinear coupled mode theory (CMT) tracking the dynamics of photon, free carrier population, and temperature variations. We experimentally demonstrate effective tuning of the radio frequency tones by laser-cavity detuning and laser power levels, confirmed by the CMT simulations with sensitive input parameters.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

A loss-based, magnetic field sensor implemented in a ferrofluid infiltrated microstructured polymer optical fiber

We report an in-fiber magnetic field sensor based on magneto-driven optical loss effects, while being implemented in a ferrofluid infiltrated microstructured polymer optical fiber. We demonstrate that magnetic field flux changes up to 2000 gauss can be detected when the magnetic field is applied perpendicular to the fiber axis. In addition, the sensor exhibits high polarization sensitivity for the interrogated wavelengths, providing the possibility of both field flux and direction measurements. The underlying physical and guidance mechanisms of this sensing transduction are further investigated using spectrophotometric, light scattering measurements, and numerical simulations, suggesting photonic Hall effect as the dominant physical, transducing mechanism.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Molecular dynamics simulation of Coulomb explosion, melting and shock wave creation in silicon after an ionization pulse

Strong electronic stopping power of swift ions in a semiconducting or insulating substrate can lead to localized electron stripping. The subsequent repulsive interactions among charged target atoms can cause Coulomb explosion. Using molecular dynamics simulation, we simulate Coulomb explosion in silicon by introducing an ionization pulse lasting for different periods, and at different substrate temperatures. We find that the longer the pulse period, the larger the melting radius. The observation can be explained by a critical energy density model assuming that melting required thermal energy density is a constant value and the total thermal energy gained from Coulomb explosion is linearly proportional to the ionization period. Our studies also show that melting radius is larger at higher substrate temperatures. The temperature effect is explained due to a longer structural relaxation above the melting temperature at original ionization boundary due to lower heat dissipation rates. Furthermore, simulations show the formation of shock waves, created due to the compression from the melting core.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Robustness of cluster synchronous patterns in small-world networks with inter-cluster co-competition balance

All edges in the classical Watts and Strogatz's small-world network model are unweighted and cooperative (positive). By introducing competitive (negative) inter-cluster edges and assigning edge weights to mimic more realistic networks, this paper develops a modified model which possesses co-competitive weighted couplings and cluster structures while maintaining the common small-world network properties of small average shortest path lengths and large clustering coefficients. Based on theoretical analysis, it is proved that the new model with inter-cluster co-competition balance has an important dynamical property of robust cluster synchronous pattern formation. More precisely, clusters will neither merge nor split regardless of adding or deleting nodes and edges, under the condition of inter-cluster co-competition balance. Numerical simulations demonstrate the robustness of the model against the increase of the coupling strength and several topological variations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Internal wave energy radiated from a turbulent mixed layer

We examine mixed-layer deepening and the generation of internal waves in stratified fluid resulting from turbulence that develops in response to an applied surface stress. In laboratory experiments the stress is applied over the breadth of a finite-length tank by a moving roughened conveyor belt. The turbulence in the shear layer is characterized using particle image velocimetry to measure the kinetic energy density. The internal waves are measured using synthetic schlieren to determine their amplitudes, frequencies, and energy density. We also perform fully nonlinear numerical simulations restricted to two dimensions but in a horizontally periodic domain. These clearly demonstrate that internal waves are generated by transient eddies at the integral length scale of turbulence and which translate with the background shear along the base of the mixed layer. In both experiments and simulations we find that the energy density of the generated waves is 1%–3% of the turbulent kinetic energy density of the turbulent layer.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Saturation of the leading spike growth in backward Raman amplifiers

Backward Raman amplification of laser pulses in plasmas can produce nearly relativistic unfocused output intensities and multi-exawatt powers in compact devices. The largest achievable intensity depends on which of major competitive processes set this limit. It is shown here that the relativistic electron nonlinearity can cause saturation of the leading amplified spike intensity before filamentation instabilities develop. A simple analytical model for the saturation, which supports numerical simulations, is suggested. The upper limit for the leading output spike unfocused intensity is calculated.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Perspective: The Asakura Oosawa model: A colloid prototype for bulk and interfacial phase behavior

In many colloidal suspensions, the micrometer-sized particles behave like hard spheres, but when non-adsorbing polymers are added to the solution a depletion attraction (of entropic origin) is created. Since 60 years the Asakura-Oosawa model, which simply describes the polymers as ideal soft spheres, is an archetypical description for the statistical thermodynamics of such systems, accounting for many features of real colloid-polymer mixtures very well. While the fugacity of the polymers (which controls their concentration in the solution) plays a role like inverse temperature, the size ratio of polymer versus colloid radii acts as a control parameter to modify the phase diagram: when this ratio is large enough, a vapor-liquid like phase separation occurs at low enough colloid packing fractions, up to a triple point where a liquid-solid two-phase coexistence region takes over. For smaller size ratios, the critical point of the phase separation and the triple point merge, resulting in a single two-phase coexistence region between fluid and crystalline phases (of “inverted swan neck”-topology, with possibly a hidden metastable phase separation). Furthermore, liquid-crystalline ordering may be found if colloidal particles of non-spherical shape (e.g., rod like) are considered. Also interactions of the particles with solid surfaces should be tunable (e.g., walls coated by polymer brushes), and interfacial phenomena are particularly interesting experimentally, since fluctuations can be studied in the microscope on all length scales, down to the particle level. Due to its simplicity this model has become a workhorse for both analytical theory and computer simulation. Recently, generalizations addressing dynamic phenomena (phase separation, crystal nucleation, etc.) have become the focus of studies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

On piecewise interpolation techniques for estimating solar radiation missing values in Kedah

This paper discusses the use of piecewise interpolation method based on cubic Ball and Bézier curves representation to estimate the missing value of solar radiation in Kedah. An hourly solar radiation dataset is collected at Alor Setar Meteorology Station that is taken from Malaysian Meteorology Deparment. The piecewise cubic Ball and Bézier functions that interpolate the data points are defined on each hourly intervals of solar radiation measurement and is obtained by prescribing first order derivatives at the starts and ends of the intervals. We compare the performance of our proposed method with existing methods using Root Mean Squared Error (RMSE) and Coefficient of Detemination (CoD) which is based on missing values simulation datasets. The results show that our method is outperformed the other previous methods.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗