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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 1,153 records · Page 64
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Mechanical-plowing-based high-speed patterning on hard material via advanced-control and ultrasonic probe vibration

In this paper, we present a high-speed direct pattern fabrication on hard materials (e.g., a tungsten-coated quartz substrate) via mechanical plowing. Compared to other probe-based nanolithography techniques based on chemical- and/or physical-reactions (e.g., the Dip-pen technique), mechanical plowing is meritorious for its low cost, ease of process control, and capability of working with a wide variety of materials beyond conductive and/or soft materials. However, direct patterning on hard material faces two daunting challenges. First, the patterning throughput is ultimately hindered by the “writing” (plowing) speed, which, in turn, is limited by the adverse effects that can be excited/induced during high-speed, and/or large-range plowing, including the vibrational dynamics of the actuation system (the piezoelectric actuator, the cantilever, and the mechanical fixture connecting the cantilever to the actuator), the dynamic cross-axis coupling between different axes of motion, and the hysteresis and the drift effects related to the piezoelectric actuators. Secondly, it is very challenging to directly pattern on ultra-hard materials via plowing. Even with a diamond probe, the line depth of the pattern via continuous plowing on ultra-hard materials such as tungsten, is still rather small (<0.5 nm), particularly when the “writing” speed becomes high. To overcome these two challenges, we propose to utilize a novel iterative learning control technique to achieve precision tracking of the desired pattern during high-speed, large-range plowing, and introduce ultrasonic vibration of the probe in the normal (vertical) direction during the plowing process to enable direct patterning on ultra hard materials. The proposed approach was implemented to directly fabricate patterns on a mask with tungsten coating and quartz substrate. The experimental results demonstrated that a large-size pattern of four grooves (20 μm in length with 300 nm spacing between lines) can be fabricated at a high speed of ∼5 mm/s, with the line width and the line depth at ∼95 nm and 2 nm, respectively. A fine pattern of the word “NANO” is also fabricated at the speed of ∼5 mm/s.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2013

Momentum space iterative solution of the time-dependent Schrödinger equation

We present a novel approach, the iterative solution of the time-dependent Schrödinger equation (iTDSE model), for the investigation of atomic systems interacting with external laser fields. This model is the extension of the momentum-space strong-field approximation (MSSFA) [1], in which the Coulomb potential was considered only as a first order perturbation. In the iTDSE approach higher order terms were gradually introduced until convergence was achieved. Benchmark calculations were done on the hydrogen atom, and the obtained results were compared to the direct numerical solution [2].

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Effects of pressure anisotropy on magnetospheric magnetohydrodynamics equilibrium of an internal ring current system

Effects of pressure anisotropy on magnetospheric magnetohydrodynamics equilibrium are studied analytically and numerically, where the plasma is confined by only poloidal magnetic field generated by an internal ring current. The plasma current due to finite pressure can be divided into two components; one remains at isotropic pressure and the other arises from pressure anisotropy. When p{sub ⊥}, the pressure perpendicular to the magnetic field, is larger than p{sub ∥}, the pressure parallel to the magnetic field, those two components of plasma current tend to cancel each other to reduce the total amount of plasma current. Equilibrium beta limit is also examined, where the beta is a ratio of the plasma pressure to the magnetic pressure. The equilibrium beta limit decreases as the pressure anisotropy becomes strong. The beta value is strictly limited by ellipticity of the equilibrium equation when p{sub ∥}>p{sub ⊥}. On the other hand, when p{sub ⊥}>p{sub ∥}, although the tendency of the beta limit agrees with the ellipticity condition of the equilibrium equation, equilibria with a hyperbolic region can be obtained by iterative procedure with practically reasonable convergence criteria.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Neutron source reconstruction from pinhole imaging at National Ignition Facility

The neutron imaging system at the National Ignition Facility (NIF) is an important diagnostic tool for measuring the two-dimensional size and shape of the neutrons produced in the burning deuterium-tritium plasma during the ignition stage of inertial confinement fusion (ICF) implosions at NIF. Since the neutron source is small (∼100 μm) and neutrons are deeply penetrating (>3 cm) in all materials, the apertures used to achieve the desired 10-μm resolution are 20-cm long, single-sided tapers in gold. These apertures, which have triangular cross sections, produce distortions in the image, and the extended nature of the pinhole results in a non-stationary or spatially varying point spread function across the pinhole field of view. In this work, we have used iterative Maximum Likelihood techniques to remove the non-stationary distortions introduced by the aperture to reconstruct the underlying neutron source distributions. We present the detailed algorithms used for these reconstructions, the stopping criteria used and reconstructed sources from data collected at NIF with a discussion of the neutron imaging performance in light of other diagnostics.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2014

Approximate equations of state in two-temperature plasma mixtures

Approximate thermodynamic state relations for multicomponent atomic and molecular gas mixtures are often constructed by artificially partitioning the mixture into its constituent materials and requiring the separated materials to be in temperature and pressure equilibrium. Iterative numerical algorithms have been employed to enforce this equilibration and compute the resulting approximate state relations in single-temperature mixtures. In partially ionized gas mixtures, there is both theoretical and empirical evidence that equilibrating the chemical potentials, number densities, or partial pressures of the free electrons is likely to produce more accurate results than equilibrating the total pressures. Moreover, in many situations of practical interest the free electrons and heavy particles have different temperatures. In this paper, we present a generalized algorithm for equilibrating the heavy-particle and electron temperatures and a third user-specified independent thermodynamic variable in a two-temperature plasma mixture. Test calculations based on the equilibration of total pressure vs. electron pressure are presented for three different mixtures.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

The chemical abundances of the Ap star HD94660

In this work I present the determination of chemical abundances of the Ap star HD94660, a possible rapid oscillating star. As all the magnetic chemically peculiar objects, it presents CNO underabundance and overabundance of iron peak elements of ∼100 times and of rare earths up to 4 dex with respect to the Sun. The determination was based on the conversion of the observed equivalent widths into abundances simultaneously to the determination of effective temperature and gravity. Since the Balmer lines of early type stars are very sensitive to the surface gravity while the flux distribution is sensitive to the effective temperature, I have adopted an iterative procedure to match the H{sub α} line profile and the observed UV-Vis-NIR magnitudes of HD94660 looking for a consistency between the metallicity of the atmosphere model and the derived abundances. From my spectroscopic analysis, this star belongs to the no-rapid oscillating class.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Continuous-scanning laser Doppler vibrometry: Extensions to arbitrary areas, multi-frequency and 3D capture

To date, differing implementations of continuous scan laser Doppler vibrometry have been demonstrated by various academic institutions, but since the scan paths were defined using step or sine functions from function generators, the paths were typically limited to 1D line scans or 2D areas such as raster paths or Lissajous trajectories. The excitation was previously often limited to a single frequency due to the specific signal processing performed to convert the scan data into an ODS. In this paper, a configuration of continuous-scan laser Doppler vibrometry is demonstrated which permits scanning of arbitrary areas, with the benefit of allowing multi-frequency/broadband excitation. Various means of generating scan paths to inspect arbitrary areas are discussed and demonstrated. Further, full 3D vibration capture is demonstrated by the addition of a range-finding facility to the described configuration, and iteratively relocating a single scanning laser head. Here, the range-finding facility was provided by a Microsoft Kinect, an inexpensive piece of consumer electronics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Iterative reconstruction using a Monte Carlo based system transfer matrix for dedicated breast positron emission tomography

To maximize sensitivity, it is desirable that ring Positron Emission Tomography (PET) systems dedicated for imaging the breast have a small bore. Unfortunately, due to parallax error this causes substantial degradation in spatial resolution for objects near the periphery of the breast. In this work, a framework for computing and incorporating an accurate system matrix into iterative reconstruction is presented in an effort to reduce spatial resolution degradation towards the periphery of the breast. The GATE Monte Carlo Simulation software was utilized to accurately model the system matrix for a breast PET system. A strategy for increasing the count statistics in the system matrix computation and for reducing the system element storage space was used by calculating only a subset of matrix elements and then estimating the rest of the elements by using the geometric symmetry of the cylindrical scanner. To implement this strategy, polar voxel basis functions were used to represent the object, resulting in a block-circulant system matrix. Simulation studies using a breast PET scanner model with ring geometry demonstrated improved contrast at 45% reduced noise level and 1.5 to 3 times resolution performance improvement when compared to MLEM reconstruction using a simple line-integral model. The GATE based system matrix reconstruction technique promises to improve resolution and noise performance and reduce image distortion at FOV periphery compared to line-integral based system matrix reconstruction.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Phonon transport in single-layer transition metal dichalcogenides: A first-principles study

Two-dimensional transition metal dichalcogenides (TMDCs) are finding promising electronic and optical applications due to their unique properties. In this letter, we systematically study the phonon transport and thermal conductivity of eight semiconducting single-layer TMDCs, MX{sub 2} (M = Mo, W, Zr, and Hf, X = S and Se), by using the first-principles-driven phonon Boltzmann transport equation approach. The validity of the single-mode relaxation time approximation to predict the thermal conductivity of TMDCs is assessed by comparing the results with the iterative solution of the phonon Boltzmann transport equation. We find that the phononic thermal conductivities of 2H-type TMDCs are above 50 W/mK at room temperature while the thermal conductivity values of the 1T-type TMDCs are much lower, when the size of the sample is 1 μm. A very high thermal conductivity value of 142 W/mK was found in single-layer WS{sub 2}. The large atomic weight difference between W and S leads to a very large phonon bandgap which in turn forbids the scattering between acoustic and optical phonon modes and thus resulting in very long phonon relaxation time.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Blip decomposition of the path integral: Exponential acceleration of real-time calculations on quantum dissipative systems

The real-time path integral representation of the reduced density matrix for a discrete system in contact with a dissipative medium is rewritten in terms of the number of blips, i.e., elementary time intervals over which the forward and backward paths are not identical. For a given set of blips, it is shown that the path sum with respect to the coordinates of all remaining time points is isomorphic to that for the wavefunction of a system subject to an external driving term and thus can be summed by an inexpensive iterative procedure. This exact decomposition reduces the number of terms by a factor that increases exponentially with propagation time. Further, under conditions (moderately high temperature and/or dissipation strength) that lead primarily to incoherent dynamics, the “fully incoherent limit” zero-blip term of the series provides a reasonable approximation to the dynamics, and the blip series converges rapidly to the exact result. Retention of only the blips required for satisfactory convergence leads to speedup of full-memory path integral calculations by many orders of magnitude.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

A coupled-cluster study of photodetachment cross sections of closed-shell anions

We investigate the performance of Stieltjes Imaging applied to Lanczos pseudo-spectra generated at the coupled cluster singles and doubles, coupled cluster singles and approximate iterative doubles and coupled cluster singles levels of theory in modeling the photodetachment cross sections of the closed shell anions H{sup −}, Li{sup −}, Na{sup −}, F{sup −}, Cl{sup −}, and OH{sup −}. The accurate description of double excitations is found to play a much more important role than in the case of photoionization of neutral species.

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

The segmented non-uniform dielectric module design for uniformity control of plasma profile in a capacitively coupled plasma chamber

Low-temperature plasma technique is one of the critical techniques in IC manufacturing process, such as etching and thin-film deposition, and the uniformity greatly impacts the process quality, so the design for the plasma uniformity control is very important but difficult. It is hard to finely and flexibly regulate the spatial distribution of the plasma in the chamber via controlling the discharge parameters or modifying the structure in zero-dimensional space, and it just can adjust the overall level of the process factors. In the view of this problem, a segmented non-uniform dielectric module design solution is proposed for the regulation of the plasma profile in a CCP chamber. The solution achieves refined and flexible regulation of the plasma profile in the radial direction via configuring the relative permittivity and the width of each segment. In order to solve this design problem, a novel simulation-based auto-design approach is proposed, which can automatically design the positional sequence with multi independent variables to make the output target profile in the parameterized simulation model approximate the one that users preset. This approach employs an idea of quasi-closed-loop control system, and works in an iterative mode. It starts from initial values of the design variable sequences, and predicts better sequences via the feedback of the profile error between the output target profile and the expected one. It never stops until the profile error is narrowed in the preset tolerance.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Accurate coarse-grained models for mixtures of colloids and linear polymers under good-solvent conditions

A coarse-graining strategy, previously developed for polymer solutions, is extended here to mixtures of linear polymers and hard-sphere colloids. In this approach, groups of monomers are mapped onto a single pseudoatom (a blob) and the effective blob-blob interactions are obtained by requiring the model to reproduce some large-scale structural properties in the zero-density limit. We show that an accurate parametrization of the polymer-colloid interactions is obtained by simply introducing pair potentials between blobs and colloids. For the coarse-grained (CG) model in which polymers are modelled as four-blob chains (tetramers), the pair potentials are determined by means of the iterative Boltzmann inversion scheme, taking full-monomer (FM) pair correlation functions at zero-density as targets. For a larger number n of blobs, pair potentials are determined by using a simple transferability assumption based on the polymer self-similarity. We validate the model by comparing its predictions with full-monomer results for the interfacial properties of polymer solutions in the presence of a single colloid and for thermodynamic and structural properties in the homogeneous phase at finite polymer and colloid density. The tetramer model is quite accurate for q ≲ 1 (q=R{sup ^}{sub g}/R{sub c}, where R{sup ^}{sub g} is the zero-density polymer radius of gyration and R{sub c} is the colloid radius) and reasonably good also for q = 2. For q = 2, an accurate coarse-grained description is obtained by using the n = 10 blob model. We also compare our results with those obtained by using single-blob models with state-dependent potentials.

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

Spectral restoration in high resolution electron energy loss spectroscopy based on iterative semi-blind Lucy-Richardson algorithm applied to rutile surfaces

A new spectral restoration algorithm of reflection electron energy loss spectra is proposed. It is based on the maximum likelihood principle as implemented in the iterative Lucy-Richardson approach. Resolution is enhanced and point spread function recovered in a semi-blind way by forcing cyclically the zero loss to converge towards a Dirac peak. Synthetic phonon spectra of TiO{sub 2} are used as a test bed to discuss resolution enhancement, convergence benefit, stability towards noise, and apparatus function recovery. Attention is focused on the interplay between spectral restoration and quasi-elastic broadening due to free carriers. A resolution enhancement by a factor up to 6 on the elastic peak width can be obtained on experimental spectra of TiO{sub 2}(110) and helps revealing mixed phonon/plasmon excitations.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Fixed-node diffusion Monte Carlo potential energy curve of the fluorine molecule F{sub 2} using selected configuration interaction trial wavefunctions

The potential energy curve of the F{sub 2} molecule is calculated with Fixed-Node Diffusion Monte Carlo (FN-DMC) using Configuration Interaction (CI)-type trial wavefunctions. To keep the number of determinants reasonable and thus make FN-DMC calculations feasible in practice, the CI expansion is restricted to those determinants that contribute the most to the total energy. The selection of the determinants is made using the CIPSI approach (Configuration Interaction using a Perturbative Selection made Iteratively). The trial wavefunction used in FN-DMC is directly issued from the deterministic CI program; no Jastrow factor is used and no preliminary multi-parameter stochastic optimization of the trial wavefunction is performed. The nodes of CIPSI wavefunctions are found to reduce significantly the fixed-node error and to be systematically improved upon increasing the number of selected determinants. To reduce the non-parallelism error of the potential energy curve, a scheme based on the use of a R-dependent number of determinants is introduced. Using Dunning’s cc-pVDZ basis set, the FN-DMC energy curve of F{sub 2} is found to be of a quality similar to that obtained with full configuration interaction/cc-pVQZ.

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

Rode's iterative calculation of surface optical phonon scattering limited electron mobility in N-polar GaN devices

N-polar GaN channel mobility is important for high frequency device applications. Here, we report theoretical calculations on the surface optical (SO) phonon scattering rate of two-dimensional electron gas (2DEG) in N-polar GaN quantum well channels with high-k dielectrics. Rode's iterative calculation is used to predict the scattering rate and mobility. Coupling of the GaN plasmon modes with the SO modes is taken into account and dynamic screening is employed under linear polarization response. The effect of SO phonons on 2DEG mobility was found to be small at >5 nm channel thickness. However, the SO mobility in 3 nm N-polar GaN channels with HfO{sub 2} and ZrO{sub 2} high-k dielectrics is low and limits the total mobility. The SO scattering for SiN dielectric on GaN was found to be negligible due to its high SO phonon energy. Using Al{sub 2}O{sub 3}, the SO phonon scattering does not affect mobility significantly only except the case when the channel is too thin with a low 2DEG density.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Icing modelling in NSMB with chimera overset grids

In aerospace Engineering, the accurate simulation of ice accretion is a key element to increase flight safety and avoid accidents related to icing effects. The icing code developed in the NSMB solver is based on an Eulerian formulation for droplets tracking, an iterative Messinger model using a modified water runback scheme for ice thickness calculation and mesh deformation to track the ice/air interface through time. The whole process is parallelized with MPI and applied with chimera grids.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Launching the chaotic realm of iso-fractals: A short remark

In this brief note, we introduce the new, emerging sub-discipline of iso-fractals by highlighting and discussing the preliminary results of recent works. First, we note the abundance of fractal, chaotic, non-linear, and self-similar structures in nature while emphasizing the importance of studying such systems because fractal geometry is the language of chaos. Second, we outline the iso-fractal generalization of the Mandelbrot set to exemplify the newly generated Mandelbrot iso-sets. Third, we present the cutting-edge notion of dynamic iso-spaces and explain how a mathematical space can be iso-topically lifted with iso-unit functions that (continuously or discretely) change; in the discrete case examples, we mention that iteratively generated sequences like Fibonacci’s numbers and (the complex moduli of) Mandelbrot’s numbers can supply a deterministic chain of iso-units to construct an ordered series of (magnified and/or de-magnified) iso-spaces that are locally iso-morphic. Fourth, we consider the initiation of iso-fractals with Inopin’s holographic ring (IHR) topology and fractional statistics for 2D and 3D iso-spaces. In total, the reviewed iso-fractal results are a significant improvement over traditional fractals because the application of Santilli’s iso-mathematics arms us an extra degree of freedom for attacking problems in chaos. Finally, we conclude by proposing some questions and ideas for future research work.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗