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At least 1,747 records · Page 97

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DOE OSTI2014

Probing nonlinear magnetization dynamics in Fe/MgO(001) film by all optical pump-probe technique

An all-optical pump-probe technique has been employed to investigate the nonlinear magnetization dynamics of a 10 nm Fe/MgO(001) thin film in time domain. The magnetization precession was excited by pump-laser pulses and modulated by laser fluence variations. With increasing the laser fluence up to 7.1 mJ/cm{sup 2}, in addition to the uniform precession mode, a second harmonic signal was detected. The time evolution of the second harmonic signal was obtained in time-frequency domain. Based on the Landau-Lifshitz-Gilbert equation, the numerical simulation was performed to reproduce the observed the frequency doubling behaviors in Fe/MgO(001) film.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2014

Measuring the strong electrostatic and magnetic fields with proton radiography for ultra-high intensity laser channeling on fast ignition

In order to investigate the intense laser propagation and channel formation in dense plasma, we conducted an experiment with proton deflectometry on the OMEGA EP Laser facility. The proton image was analyzed by tracing the trajectory of mono-energetic protons, which provides understanding the electric and magnetic fields that were generated around the channel. The estimated field strengths (E ∼ 10{sup 11} V/m and B ∼ 10{sup 8} G) agree with the predictions from 2D-Particle-in-cell (PIC) simulations, indicating the feasibility of the proton deflectometry technique for over-critical density plasma.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2014

Numerical design of SiC bulk crystal growth for electronic applications

Presented study concerns numerical simulation of Physical Vapor Transport (PVT) growth of bulk Silicon Carbide (SiC) crystals. Silicon Carbide is a wide band gap semiconductor, with numerous applications due to its unique properties. Wider application of SiC is limited by high price and insufficient quality of the product. Those problems can be overcame by optimizing SiC production methods. Experimental optimization of SiC production is expensive because it is time consuming and requires large amounts of energy. Numerical modeling allows to learn more about conditions inside the reactor and helps to optimize the process at much lower cost. In this study several simulations of processes with different reactor geometries were presented along with discussion of reactor geometry influence on obtained monocrystal shape and size.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2014

Statistical analysis and modeling of intermittent transport events in the tokamak scrape-off layer

The turbulence observed in the scrape-off-layer of a tokamak is often characterized by intermittent events of bursty nature, a feature which raises concerns about the prediction of heat loads on the physical boundaries of the device. It appears thus necessary to delve into the statistical properties of turbulent physical fields such as density, electrostatic potential, and temperature, focusing on the mathematical expression of tails of the probability distribution functions. The method followed here is to generate statistical information from time-traces of the plasma density stemming from Braginskii-type fluid simulations and check this against a first-principles theoretical model. The analysis of the numerical simulations indicates that the probability distribution function of the intermittent process contains strong exponential tails, as predicted by the analytical theory.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2015

Stochastic generation of hourly rainstorm events in Johor

Engineers and researchers in water-related studies are often faced with the problem of having insufficient and long rainfall record. Practical and effective methods must be developed to generate unavailable data from limited available data. Therefore, this paper presents a Monte-Carlo based stochastic hourly rainfall generation model to complement the unavailable data. The Monte Carlo simulation used in this study is based on the best fit of storm characteristics. Hence, by using the Maximum Likelihood Estimation (MLE) and Anderson Darling goodness-of-fit test, lognormal appeared to be the best rainfall distribution. Therefore, the Monte Carlo simulation based on lognormal distribution was used in the study. The proposed model was verified by comparing the statistical moments of rainstorm characteristics from the combination of the observed rainstorm events under 10 years and simulated rainstorm events under 30 years of rainfall records with those under the entire 40 years of observed rainfall data based on the hourly rainfall data at the station J1 in Johor over the period of 1972–2011. The absolute percentage error of the duration-depth, duration-inter-event time and depth-inter-event time will be used as the accuracy test. The results showed the first four product-moments of the observed rainstorm characteristics were close with the simulated rainstorm characteristics. The proposed model can be used as a basis to derive rainfall intensity-duration frequency in Johor.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

Positron production at extreme light infrastructure – nuclear physics (ELI-NP)

Applied and material physics studies with positron beams of Fermi–surfaces, defects, interfaces etc. offer excellent diagnostics tools. At ELI-NP, an intense γ beam of about 10{sup 11} photons/s with energies up to 3.5 MeV will be used to generate a positron beam via pair production in a tungsten converter target. To obtain a high intensity beam of moderated positrons the design of the positron source is of high importance. The design of a dedicated positron source at ELI–NP is being investigated based on extensive GEANT4 simulations. The goal of the simulations is to optimize the geometry of the target and the gamma beam collimation. We present here the characteristics of the positron beam obtained for different geometries of the converter target.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

Full-direct method for imaging pharmacokinetic parameters in dynamic fluorescence molecular tomography

Images of pharmacokinetic parameters (also known as parametric images) in dynamic fluorescence molecular tomography (FMT) can provide three-dimensional metabolic information for biological studies and drug development. However, the ill-posed nature of FMT and the high temporal variation of fluorophore concentration together make it difficult to obtain accurate parametric images in small animals in vivo. In this letter, we present a method to directly reconstruct the parametric images from the boundary measurements based on hybrid FMT/X-ray computed tomography (XCT) system. This method can not only utilize structural priors obtained from the XCT system to mitigate the ill-posedness of FMT but also make full use of the temporal correlations of boundary measurements to model the high temporal variation of fluorophore concentration. The results of numerical simulation and mouse experiment demonstrate that the proposed method leads to significant improvements in the reconstruction quality of parametric images.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2015

Design and simulation of a gyroklystron amplifier

In the present paper, a design methodology of the gyroklystron amplifier has been described and subsequently used for the design of a typically selected 200 kW, Ka-band, four-cavity gyroklystron amplifier. This conceptual device design has been validated through the 3D particle-in-cell (PIC) simulation and nonlinear analysis. Commercially available PIC simulation code “MAGIC” has been used for the electromagnetic study at the different location of the device RF interaction structure for the beam-absent case, i.e., eigenmode study as well as for the electron beam and RF wave interaction behaviour study in the beam present case of the gyroklystron. In addition, a practical problem of misalignment of the RF cavities with drift tubes within the tube has been also investigated and its effect on device performance studied. The analytical and simulation results confirmed the validity of the gyroklystron device design. The PIC simulation results of the present gyroklystron produced a stable RF output power of ∼218 kW for 0% velocity spread at 35 GHz, with ∼45 dB gain, 37% efficiency, and a bandwidth of 0.3% for a 70 kV, 8.2 A gyrating electron beam. The simulated values of RF output power have been found in agreement with the nonlinear analysis results within ∼5%. Further, the PIC simulation has been extended to study a practical problem of misalignment of the cavities axis and drift tube axis of the gyroklystron amplifier and found that the RF output power is more sensitive to misalignments in comparison to the device bandwidth. The present paper, gyroklystron device design, nonlinear analysis, and 3D PIC simulation using commercially available code had been systematically described would be of use to the high-power gyro-amplifier tube designers and research scientists.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2015

Steady state effects in a two-pulse diffusion-weighted sequence

In conventional nuclear magnetic resonance (NMR) diffusion measurements a significant amount of experimental time is used up by magnetization recovery, serving to prevent the formation of the steady state, as in the latter case the manifestation of diffusion is modulated by multiple applications of the pulse sequence and conventional diffusion coefficient inference procedures are generally not applicable. Here, an analytical expression for diffusion-related effects in a two-pulse NMR experiment (e.g., pulsed-gradient spin echo) in the steady state mode (with repetition times less than the longitudinal relaxation time of the sample) is derived by employing a Fourier series expansion within the solution of the Bloch-Torrey equations. Considerations are given for the transition conditions between the full relaxation and the steady state experiment description. The diffusion coefficient of a polymer solution (polyethylene glycol) is measured by a two-pulse sequence in the full relaxation mode and for a range of repetition times, approaching the rapid steady state experiment. The precision of the fitting employing the presented steady state solution by far exceeds that of the conventional fitting. Additionally, numerical simulations are performed yielding results strongly supporting the proposed description of the NMR diffusion measurements in the steady state.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2015

Forces and stress in second order Møller-Plesset perturbation theory for condensed phase systems within the resolution-of-identity Gaussian and plane waves approach

The forces acting on the atoms as well as the stress tensor are crucial ingredients for calculating the structural and dynamical properties of systems in the condensed phase. Here, these derivatives of the total energy are evaluated for the second-order Møller-Plesset perturbation energy (MP2) in the framework of the resolution of identity Gaussian and plane waves method, in a way that is fully consistent with how the total energy is computed. This consistency is non-trivial, given the different ways employed to compute Coulomb, exchange, and canonical four center integrals, and allows, for example, for energy conserving dynamics in various ensembles. Based on this formalism, a massively parallel algorithm has been developed for finite and extended system. The designed parallel algorithm displays, with respect to the system size, cubic, quartic, and quintic requirements, respectively, for the memory, communication, and computation. All these requirements are reduced with an increasing number of processes, and the measured performance shows excellent parallel scalability and efficiency up to thousands of nodes. Additionally, the computationally more demanding quintic scaling steps can be accelerated by employing graphics processing units (GPU’s) showing, for large systems, a gain of almost a factor two compared to the standard central processing unit-only case. In this way, the evaluation of the derivatives of the RI-MP2 energy can be performed within a few minutes for systems containing hundreds of atoms and thousands of basis functions. With good time to solution, the implementation thus opens the possibility to perform molecular dynamics (MD) simulations in various ensembles (microcanonical ensemble and isobaric-isothermal ensemble) at the MP2 level of theory. Geometry optimization, full cell relaxation, and energy conserving MD simulations have been performed for a variety of molecular crystals including NH{sub 3}, CO{sub 2}, formic acid, and benzene.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2015

Resonant transmission and mode modulation of acoustic waves in H-shaped metallic gratings

In this work, we demonstrate that resonant full transmission of acoustic waves exists in subwavelength H-shaped metallic gratings, and transmission peaks can be efficiently tuned by adjusting the grating geometry. We investigate this phenomenon through both numerical simulations and theoretical calculations based on rigorous-coupled wave analysis. The transmission peaks are originated from Fabry-Perot resonances together with the couplings between the diffractive wave on the surface and the multiple guided modes in the slits. Moreover, the transmission modes can be efficiently tuned by adjusting the cavity geometry, without changing the grating thickness. The mechanism is analyzed based on an equivalent circuit model and verified by both the theoretical calculations and the numerical simulations. This research has potential application in acoustic-device miniaturization over a wide range of wavelengths.

36 MATERIALS SCIENCE↗

DOE OSTI2015

Restoring in-phase emissions from non-planar radiating elements using a transformation optics based lens

The broadband directive in-phase emission from an array of sources conformed cylindrically is numerically and experimentally reported. Such manipulation is achieved through the use of a lens designed by transformation optics concept. The all-dielectric lens prototype is realized through three-dimensional (3D) polyjet printing and presents a graded refractive index. A microstrip antenna array fabricated using standard lithography techniques and conformed on a cylindrical surface is used as TE-polarized wave launcher for the lens. To experimentally demonstrate the broadband focusing properties and in-phase directive emissions, both the far-field radiation patterns and the near-field distributions have been measured. Experimental measurements agreeing qualitatively with numerical simulations validate the proposed lens and open the way to inexpensive all-dielectric microwave lenses for beam forming and collimation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

Study on effect of geometrical configuration of radioactive source material to the radiation intensity of betavoltaic nuclear battery

Nuclear batteries have strategic applications and very high economic potential. One Important problem in application of nuclear betavoltaic battery is its low efficiency. Current efficiency of betavoltaic nuclear battery reaches only arround 2%. One aspect that can influence the efficiency of betavoltaic nuclear battery is the geometrical configuration of radioactive source. In this study we discuss the effect of geometrical configuration of radioactive source material to the radiation intensity in betavoltaic nuclear battery system. received by the detector. By obtaining the optimum configurations, the optimum usage of radioactive materials can be determined. Various geometrical configurations of radioactive source material are simulated. It is obtained that usage of radioactive source will be optimum for circular configuration.

30 DIRECT ENERGY CONVERSION↗

DOE OSTI2015

Narrowband thermal radiation from closed-end microcavities

High spectral selectivity of thermal radiation is important for achieving high-efficiency energy systems. In this study, intense, narrowband, and low directional absorption/radiation were observed in closed-end microcavity which is a conventional open-end microcavity covered by a semi-transparent thin metal film. The quality factor (Q factor) of optical absorption band strongly depended on the film electrical conductivity. Asymmetric and narrow absorption band with a Q factor of 25 at 1.28 μm was obtained for a 6-nm-thick Au film. Numerical simulations suggest that the formation of a fixed-end mode at the cavity aperture contributes to the narrowband optical absorption. The closed-end microcavity filled with SiO{sub 2} exhibits intense and isotropic thermal radiation over a wide solid angle according to numerical simulation. The narrow and asymmetric absorption spectrum was experimentally confirmed in a model of closed-end microcavity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

Wide-range simulation of elastoplastic wave fronts and failure of solids under high-speed loading

The aim of this paper is numerical study of deformation processes and failure of vanadium under shock-wave loading. According developed statistical theory of solid with mesoscopic defects the constitutive equations were proposed in terms of two structural variables characterizing behavior of defects ensembles: defect density tensor and structural scaling parameter. On the basis of wide-range constitutive equations the mathematical model of deformation behavior and failure of vanadium was developed taking into account the bond relaxation mechanisms, multistage of fracture and nonlinearity kinetic of defects. Results of numerical simulation allow the description of the major effects of shock wave propagation (elastic precursor decay, grow of spall strength under grow strain rate)

42 ENGINEERING↗

DOE OSTI2016

Particle-In-Cell (PIC) simulation of long-anode magnetron

Long Anode Magnetron (LAM) is a design scheme adopted to attain greater thermal stability and higher power levels for the conventional magnetrons. So a LAM for 5MW Power level at 2.858 GHz was ‘Virtual Prototyped’ using Admittance Matching field theory (AMT) andthen a PIC Study (Beam-wave interaction) was conducted using CST Particle Studio (CST-PS) which is explained in this paper. The convincing results thus obtained were – hot resonant frequency of 2.834 GHz. Output power of 5 MW at beam voltage of 58kV and applied magnetic field of 2200 Gauss with an overall efficiency of 45%. The simulated parameters values on comparison with the E2V LAM tube (M5028) were in good agreement which validates the feasibility of the design approach.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2016

Plasma heating via adiabatic magnetic compression-expansion cycle

Heating of collisionless plasmas in closed adiabatic magnetic cycle comprising of a quasi static compression followed by a non quasi static constrained expansion against a constant external pressure is proposed. Thermodynamic constraints are derived to show that the plasma always gains heat in cycles having at least one non quasi static process. The turbulent relaxation of the plasma to the equilibrium state at the end of the non quasi static expansion is discussed and verified via 1D Particle in Cell (PIC) simulations. Applications of this scheme to heating plasmas in open configurations (mirror machines) and closed configurations (tokamak, reverse field pinche) are discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2012

Optimal acceleration of ions by laser pulses with a sharp leading edge

We consider acceleration of ions through the interaction of a laser pulse with a sharp leading edge with nanofilms. At sufficiently large amplitude of the pulse, all the electrons can be expelled from the film, which provides an effective regime of ion acceleration. Limiting the maximum energy of ions can result from the longitudinal reverse motion of electrons to the initial position and by the transverse motion of electrons along the nanofilm surface, which causes the ion charge compensation. The characteristic parameters of the dynamics of ions and electrons in the system are analytically evaluated, which agree well with the results of twodimensional numerical simulations by the particle-in-cell method. Optimisation of the acceleration process by using the analytical estimates makes it possible to select the optimal parameters of the laser pulse and nanofilm. Numerical simulation of ion acceleration at these parameters shows that the maximum energy of ions can be substantially increased.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗