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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 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Magnetic field cycling effect on the non-linear current-voltage characteristics and magnetic field induced negative differential resistance in α-Fe{sub 1.64}Ga{sub 0.36}O{sub 3} oxide

We have studied current-voltage (I-V) characteristics of α-Fe{sub 1.64}Ga{sub 0.36}O{sub 3}, a typical canted ferromagnetic semiconductor. The sample showed a transformation of the I-V curves from linear to non-linear character with the increase of bias voltage. The I-V curves showed irreversible features with hysteresis loop and bi-stable electronic states for up and down modes of voltage sweep. We report positive magnetoresistance and magnetic field induced negative differential resistance as the first time observed phenomena in metal doped hematite system. The magnitudes of critical voltage at which I-V curve showed peak and corresponding peak current are affected by magnetic field cycling. The shift of the peak voltage with magnetic field showed a step-wise jump between two discrete voltage levels with least gap (ΔV{sub P}) 0.345(± 0.001) V. The magnetic spin dependent electronic charge transport in this new class of magnetic semiconductor opens a wide scope for tuning large electroresistance (∼500-700%), magnetoresistance (70-135 %) and charge-spin dependent conductivity under suitable control of electric and magnetic fields. The electric and magnetic field controlled charge-spin transport is interesting for applications of the magnetic materials in spintronics, e.g., magnetic sensor, memory devices and digital switching.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Neutron radiation effects on linear CCDs at different clock pulse frequency

The experiments of reactor neutron radiation effects on linear CCDs are presented. The output voltage in dark field after neutron radiation are presented and compared at different clock pulse frequency. The degradation phenomena are analyzed in depth. The mean dark signal (K{sub D}) and dark signal non-uniformity (DSNU) versus neutron fluence is investigated at different clock pulse frequency. The degradation mechanisms of the dark signal and DSNU in linear CCDs are analyzed. The flux of the reactor neutron beams was about 1.33 × 10{sup 8} n/cm{sup 2}/s. The samples were exposed to 1MeV neutron-equivalent fluences of 1 × 10{sup 11}, 5 × 10{sup 11}, and 1 × 10{sup 12} n/cm{sup 2}, respectively.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Realization of non-linear coherent states by photonic lattices

In this paper, first, by introducing Holstein-Primakoff representation of α-deformed algebra, we achieve the associated non-linear coherent states, including su(2) and su(1, 1) coherent states. Second, by using waveguide lattices with specific coupling coefficients between neighbouring channels, we generate these non-linear coherent states. In the case of positive values of α, we indicate that the Hilbert size space is finite; therefore, we construct this coherent state with finite channels of waveguide lattices. Finally, we study the field distribution behaviours of these coherent states, by using Mandel Q parameter.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Voltage linearity modulation and polarity dependent conduction in metal-insulator-metal capacitors with atomic-layer-deposited Al{sub 2}O{sub 3}/ZrO{sub 2}/SiO{sub 2} nano-stacks

Excellent voltage linearity of metal-insulator-metal (MIM) capacitors is highly required for next generation radio frequency integration circuits. In this work, employing atomic layer deposition technique, we demonstrated how the voltage linearity of MIM capacitors was modulated by adding different thickness of SiO{sub 2} layer to the nano-stack of Al{sub 2}O{sub 3}/ZrO{sub 2}. It was found that the quadratic voltage coefficient of capacitance (α) can be effectively reduced from 1279 to −75 ppm/V{sup 2} with increasing the thickness of SiO{sub 2} from zero to 4 nm, which is more powerful than increasing the thickness of ZrO{sub 2} in the Al{sub 2}O{sub 3}/ZrO{sub 2} stack. This is attributed to counteraction between the positive α for Al{sub 2}O{sub 3}/ZrO{sub 2} and the negative one for SiO{sub 2} in the MIM capacitors with Al{sub 2}O{sub 3}/ZrO{sub 2}/SiO{sub 2} stacks. Interestingly, voltage-polarity dependent conduction behaviors in the MIM capacitors were observed. For electron bottom-injection, the addition of SiO{sub 2} obviously suppressed the leakage current; however, it abnormally increased the leakage current for electron top-injection. These are ascribed to the co-existence of shallow and deep traps in ZrO{sub 2}, and the former is in favor of the field-assisted tunnelling conduction and the latter contributes to the trap-assisted tunnelling process. The above findings will be beneficial to device design and process optimization for high performance MIM capacitors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Study of non-linear Hall effect in nitrogen-grown ZnO microstructure and the effect of H{sup +}-implantation

We report magnetotransport studies on microstructured ZnO film grown by pulsed laser deposition in N{sub 2} atmosphere on a-plane Al{sub 2}O{sub 3} substrates and the effect of low energy H{sup +}-implantation. Non-linearity has been found in the magnetic field dependent Hall resistance, which decreases with temperature. We explain this effect with a two-band model assuming the conduction through two different parallel channels having different types of charge carriers. Reduced non-linearity after H{sup +}-implantation in the grown film is due to the shallow-donor effect of hydrogen giving rise to an increment in the electron density, reducing the effect of the other channel.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Graphene as a hexagonal 2-lattice: Evaluation of the in-plane material constants for the linear theory. A multiscale approach

Continuum modeling of free-standing graphene monolayer, viewed as a two dimensional 2-lattice, requires specification of the components of the shift vector that acts as an auxiliary variable. If only in-plane motions are considered, the energy depends on an in-plane strain measure and the shift vector. The assumption of geometrical and material linearity leads to quadratic energy terms with respect to the shift vector, the strain tensor, and their combinations. Graphene's hexagonal symmetry reduces the number of independent moduli then to four. We evaluate these four material parameters using molecular calculations and the adaptive intermolecular reactive empirical bond order potential and compare them with standard linear elastic constitutive modeling. The results of our calculations show that the predicted values are in reasonable agreement with those obtained solely from our molecular calculations as well as those from the literature. To the best of our knowledge, this is the first attempt to measure mechanical properties when graphene is modeled as a hexagonal 2-lattice. This work targets at the continuum scale when the insight measurements come from finer scales using atomistic simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Super-stretchable metallic interconnects on polymer with a linear strain of up to 100%

Metal interconnects in flexible and wearable devices are heterogeneous metal-polymer systems that are expected to sustain large deformation without failure. The principal strategy to make strain tolerant interconnect lines on flexible substrates has comprised of creating serpentine structures of metal films with either in-plane or out-of-plane waves, using porous substrates, or using highly ductile materials such as gold. The wavy and helical serpentine patterns preclude high-density packing of interconnect lines on devices, while ductile materials such as Au are cost prohibitive for real world applications. Ductile copper films can be stretched if bonded to the substrate, but show high level of cracking beyond few tens of % strain. In this paper, we demonstrate a material system consisting of Indium metal film over an elastomer (PDMS) with a discontinuous Cr layer such that the metal interconnect can be stretched to extremely high linear strain (up to 100%) without any visible cracks. Such linear strain in metal interconnects exceeds that reported in literature and is obtained without the use of any geometrical manipulations or porous substrates. Systematic experimentation is carried out to explain the mechanisms that allow the Indium film to sustain the high strain level without failure. The islands forming the discontinuous Cr layer are shown to move apart from each other during stretching without delamination, providing strong adhesion to the Indium film while accommodating the large strain in the system. The Indium film is shown to form surface wrinkles upon release from the large strain, confirming its strong adhesion to PDMS. A model is proposed based upon the observations that can explain the high level of stretch-ability of the Indium metal film over the PDMS substrate.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Design of blade-shaped-electrode linear ion traps with reduced anharmonic contributions

RF quadrupole linear Paul traps are versatile tools in quantum physics experiments. Linear Paul traps with blade-shaped electrodes have the advantages of larger solid angles for fluorescence collection. But with these kinds of traps, the existence of higher-order anharmonic terms of the trap potentials can cause large heating rate for the trapped ions. In this paper, we theoretically investigate the dependence of higher-order terms of trap potentials on the geometry of blade-shaped traps, and offer an optimized design. A modified blade electrodes trap is proposed to further reduce higher-order anharmonic terms while still retaining large fluorescence collection angle.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Approximating electronically excited states with equation-of-motion linear coupled-cluster theory

A new perturbative approach to canonical equation-of-motion coupled-cluster theory is presented using coupled-cluster perturbation theory. A second-order Møller-Plesset partitioning of the Hamiltonian is used to obtain the well known equation-of-motion many-body perturbation theory equations and two new equation-of-motion methods based on the linear coupled-cluster doubles and linear coupled-cluster singles and doubles wavefunctions. These new methods are benchmarked against very accurate theoretical and experimental spectra from 25 small organic molecules. It is found that the proposed methods have excellent agreement with canonical equation-of-motion coupled-cluster singles and doubles state for state orderings and relative excited state energies as well as acceptable quantitative agreement for absolute excitation energies compared with the best estimate theory and experimental spectra.

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

Non-linear macro evolution of a dc driven micro atmospheric glow discharge

We studied the macro evolution of the micro atmospheric glow discharge generated between a micro argon jet into ambient air and static water. The micro discharge behaves similarly to a complex ecosystem. Non-linear behaviors are found for the micro discharge when the water acts as a cathode, different from the discharge when water behaves as an anode. Groups of snapshots of the micro discharge formed at different discharge currents are captured by an intensified charge-coupled device with controlled exposure time, and each group consisted of 256 images taken in succession. Edge detection methods are used to identify the water surface and then the total brightness is defined by adding up the signal counts over the area of the micro discharge. Motions of the water surface at different discharge currents show that the water surface lowers increasingly rapidly when the water acts as a cathode. In contrast, the water surface lowers at a constant speed when the water behaves as an anode. The light curves are similar to logistic growth curves, suggesting that a self-inhibition process occurs in the micro discharge. Meanwhile, the total brightness increases linearly during the same time when the water acts as an anode. Discharge-water interactions cause the micro discharge to evolve. The charged particle bomb process is probably responsible for the different behaviors of the micro discharges when the water acts as cathode and anode.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Sparse linear systems: Theory of decomposition, methods, technology, applications and implementation in Wolfram Mathematica

In this paper we propose the theory of decomposition, methods, technologies, applications and implementation in Wol-fram Mathematica for the constructing the solutions of the sparse linear systems. One of the applications is the Sensor Location Problem for the symmetric graph in the case when split ratios of some arc flows can be zeros. The objective of that application is to minimize the number of sensors that are assigned to the nodes. We obtain a sparse system of linear algebraic equations and research its matrix rank. Sparse systems of these types appear in generalized network flow programming problems in the form of restrictions and can be characterized as systems with a large sparse sub-matrix representing the embedded network structure.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Exciton dynamics and non-linearities in two-dimensional hybrid organic perovskites

Due to their high potentiality for photovoltaic applications or coherent light sources, a renewed interest in hybrid organic perovskites has emerged for few years. When they are arranged in two dimensions, these materials can be considered as hybrid quantum wells. One consequence of the unique structure of 2D hybrid organic perovskites is a huge exciton binding energy that can be tailored through chemical engineering. We present experimental investigations of the exciton non-linearities by means of femtosecond pump-probe spectroscopy. The exciton dynamics is fitted with a bi-exponential decay with a free exciton life-time of ∼100 ps. Moreover, an ultrafast intraband relaxation (<150 fs) is also reported. Finally, the transient modification of the excitonic line is analyzed through the moment analysis and described in terms of reduction of the oscillator strength and linewidth broadening. We show that excitonic non-linearities in 2D hybrid organic perovskites share some behaviours of inorganic semiconductors despite their high exciton binding energy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Linear multispecies gyrokinetic flux tube benchmarks in shaped tokamak plasmas

Verification is the fundamental step that any turbulence simulation code has to be submitted in order to assess the proper implementation of the underlying equations. We have carried out a cross comparison of three flux tube gyrokinetic codes, GENE [F. Jenko et al., Phys. Plasmas 7, 1904 (2000)], GKW [A. G. Peeters et al., Comput. Phys. Commun. 180, 2650 (2009)], and GS2 [W. Dorland et al., Phys. Rev. Lett. 85, 5579 (2000)], focusing our attention on the effect of realistic geometries described by a series of MHD equilibria with increasing shaping complexity. To simplify the effort, the benchmark has been limited to the electrostatic collisionless linear behaviour of the system. A fully gyrokinetic model has been used to describe the dynamics of both ions and electrons. Several tests have been carried out looking at linear stability at ion and electron scales, where for the assumed profiles Ion Temperature Gradient (ITG)/Trapped Electron Modes and Electron Temperature Gradient modes are unstable. The capability of the codes to handle a non-zero ballooning angle has been successfully benchmarked in the ITG regime. Finally, the standard Rosenbluth-Hinton test has been successfully carried out looking at the effect of shaping on Zonal Flows (ZFs) and Geodesic Acoustic Modes (GAMs). Inter-code comparison as well as validation of simulation results against analytical estimates has been accomplished. All the performed tests confirm that plasma elongation strongly stabilizes plasma instabilities as well as leads to a strong increase in ZF residual and GAM damping.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

SparseMaps—A systematic infrastructure for reduced-scaling electronic structure methods. III. Linear-scaling multireference domain-based pair natural orbital N-electron valence perturbation theory

Multi-reference (MR) electronic structure methods, such as MR configuration interaction or MR perturbation theory, can provide reliable energies and properties for many molecular phenomena like bond breaking, excited states, transition states or magnetic properties of transition metal complexes and clusters. However, owing to their inherent complexity, most MR methods are still too computationally expensive for large systems. Therefore the development of more computationally attractive MR approaches is necessary to enable routine application for large-scale chemical systems. Among the state-of-the-art MR methods, second-order N-electron valence state perturbation theory (NEVPT2) is an efficient, size-consistent, and intruder-state-free method. However, there are still two important bottlenecks in practical applications of NEVPT2 to large systems: (a) the high computational cost of NEVPT2 for large molecules, even with moderate active spaces and (b) the prohibitive cost for treating large active spaces. In this work, we address problem (a) by developing a linear scaling “partially contracted” NEVPT2 method. This development uses the idea of domain-based local pair natural orbitals (DLPNOs) to form a highly efficient algorithm. As shown previously in the framework of single-reference methods, the DLPNO concept leads to an enormous reduction in computational effort while at the same time providing high accuracy (approaching 99.9% of the correlation energy), robustness, and black-box character. In the DLPNO approach, the virtual space is spanned by pair natural orbitals that are expanded in terms of projected atomic orbitals in large orbital domains, while the inactive space is spanned by localized orbitals. The active orbitals are left untouched. Our implementation features a highly efficient “electron pair prescreening” that skips the negligible inactive pairs. The surviving pairs are treated using the partially contracted NEVPT2 formalism. A detailed comparison between the partial and strong contraction schemes is made, with conclusions that discourage the strong contraction scheme as a basis for local correlation methods due to its non-invariance with respect to rotations in the inactive and external subspaces. A minimal set of conservatively chosen truncation thresholds controls the accuracy of the method. With the default thresholds, about 99.9% of the canonical partially contracted NEVPT2 correlation energy is recovered while the crossover of the computational cost with the already very efficient canonical method occurs reasonably early; in linear chain type compounds at a chain length of around 80 atoms. Calculations are reported for systems with more than 300 atoms and 5400 basis functions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Non-linear dielectric signatures of entropy changes in liquids subject to time dependent electric fields

A model of non-linear dielectric polarization is studied in which the field induced entropy change is the source of polarization dependent retardation time constants. Numerical solutions for the susceptibilities of the system are obtained for parameters that represent the dynamic and thermodynamic behavior of glycerol. The calculations for high amplitude sinusoidal fields show a significant enhancement of the steady state loss for frequencies below that of the low field loss peak. Also at relatively low frequencies, the third harmonic susceptibility spectrum shows a “hump,” i.e., a maximum, with an amplitude that increases with decreasing temperature. Both of these non-linear effects are consistent with experimental evidence. While such features have been used to conclude on a temperature dependent number of dynamically correlated particles, N{sub corr}, the present result demonstrates that the third harmonic susceptibility display a peak with an amplitude that tracks the variation of the activation energy in a model that does not involve dynamical correlations or spatial scales.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Non-linear effects in bunch compressor of TARLA

Transport of a beam through an accelerator beamline is affected by high order and non-linear effects such as space charge, coherent synchrotron radiation, wakefield, etc. These effects damage form of the beam, and they lead particle loss, emittance growth, bunch length variation, beam halo formation, etc. One of the known non-linear effects on low energy machine is space charge effect. In this study we focus on space charge effect for Turkish Accelerator and Radiation Laboratory in Ankara (TARLA) machine which is designed to drive InfraRed Free Electron Laser covering the range of 3-250 µm. Moreover, we discuss second order effects on bunch compressor of TARLA.

43 PARTICLE ACCELERATORS↗
DOE OSTI2016

Optimal space of linear classical observables for Maxwell k-forms via spacelike and timelike compact de Rham cohomologies

Being motivated by open questions in gauge field theories, we consider non-standard de Rham cohomology groups for timelike compact and spacelike compact support systems. These cohomology groups are shown to be isomorphic respectively to the usual de Rham cohomology of a spacelike Cauchy surface and its counterpart with compact support. Furthermore, an analog of the usual Poincaré duality for de Rham cohomology is shown to hold for the case with non-standard supports as well. We apply these results to find optimal spaces of linear observables for analogs of arbitrary degree k of both the vector potential and the Faraday tensor. The term optimal has to be intended in the following sense: The spaces of linear observables we consider distinguish between different configurations; in addition to that, there are no redundant observables. This last point in particular heavily relies on the analog of Poincaré duality for the new cohomology groups.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Linear magneto-resistance in Bi{sub 2}SeTe{sub 2} topological insulator

Magnetic field and temperature dependent electronic transport measurements have been carried out on Bi{sub 2}SeTe{sub 2} topological insulator single crystals. The measurements reveal an insulating behavior and the carriers were found to be electrons (n-type) from Hall measurement. Magneto-resistance (MR) measurements in the field range (B) of 15 T to -15 T carried out at 4.2 K showed a cusp like weak anti-localization behavior for lower fields (-5 T 5 T. Upon increasing temperature, MR transforms to linear dependence of B at 40, 50 and 100 K. On further increasing temperatures (> 200 K), a parabolic MR is observed. Temperature dependent Hall data also showed a transition from a nonlinear to linear behavior upon increasing temperatures. Disorder induced changes in the electronic transport characteristics of bulk and surface electrons are believed to cause such changes in the magneto-transport behavior of this system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗