Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “STRONG INTERACTIONS”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 991 records · Page 55

Nuclear Fission: from more phenomenology and adjusted parameters to more fundamental theory and increased predictive power

Two major recent developments in theory and computational resources created the favorable conditions for achieving a microscopic description of fission dynamics in classically allowed regions of the collective potential energy surface, almost eighty years after its discovery in 1939 by Hahn and Strassmann [1]. The first major development was in theory, the extension of the Time-Dependent Density Functional Theory (TDDFT) [2–5] to superfluid fermion systems [6]. The second development was in computing, the emergence of powerful enough supercomputers capable of solving the complex systems of equations describing the time evolution in three dimensions without any restrictions of hundreds of strongly interacting nucleons. Thus the conditions have been created to renounce phenomenological models and incomplete microscopic treatments with uncontrollable approximations and/or assumptions in the description of the complex dynamics of fission. Even though the available nuclear energy density functionals (NEDFs) are phenomenological still, their accuracy is improving steadily and the prospects of being able to perform calculations of the nuclear fission dynamics and to predict many properties of the fission fragments, otherwise not possible to extract from experiments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Significant thermal conductivity reduction of silicon nanowire forests through discrete surface doping of germanium

Silicon nanowires (SiNWs) are promising materials for the realization of highly-efficient and cost effective thermoelectric devices. Reduction of the thermal conductivity of such materials is a necessary and viable pathway to achieve sufficiently high thermoelectric efficiencies, which are inversely proportional to the thermal conductivity. In this article, vertically aligned forests of SiNW and germanium (Ge)-doped SiNW with diameters around 100 nm have been fabricated, and their thermal conductivity has been measured. The results show that discrete surface doping of Ge on SiNW arrays can lead to 23% reduction in thermal conductivity at room temperature compared to uncoated SiNWs. Such reduction can be further enhanced to 44% following a thermal annealing step. By analyzing the binding energy changes of Ge-3d and Si-2p using X-ray photoelectron spectroscopy, we demonstrate that surface doped Ge interacts strongly with Si, enhancing phonon scattering at the Si-Ge interface as has also been shown in non-equilibrium molecular dynamics studies of single nanowires. Overall, our results suggest a viable pathway to improve the energy conversion efficiency of nanowire-forest thermoelectric nanomaterials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Electron trap level of hydrogen incorporated nitrogen vacancies in silicon nitride

Hydrogen incorporation into nitrogen vacancies in silicon nitride and its effects on electron trap level are analyzed using simulation based on density functional theory with temperature- and pressure-dependent hydrogen chemical potential. If the silicon dangling bonds around a nitrogen vacancy are well separated each other, hydrogen incorporation is energetically stable up to 900 °C, which is in agreement with the experimentally observed desorption temperature. On the other hand, if the dangling bonds strongly interact, the incorporation is energetically unfavorable even at room temperature because of steric hindrance. An electron trap level caused by a nitrogen vacancy becomes shallow by the hydrogen incorporation. An electron is trapped in a deep level created by a silicon dangling bond before hydrogen incorporation, whereas it is trapped in a shallow level created by an anti-bonding state of a silicon-silicon bond after hydrogen incorporation. The simulation results qualitatively explain the experiment, in which reduced hydrogen content in silicon nitride shows superior charge retention characteristics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Biexciton formation and exciton coherent coupling in layered GaSe

Nonlinear two-dimensional Fourier transform (2DFT) and linear absorption spectroscopy are used to study the electronic structure and optical properties of excitons in the layered semiconductor GaSe. At the 1s exciton resonance, two peaks are identified in the absorption spectra, which are assigned to splitting of the exciton ground state into the triplet and singlet states. 2DFT spectra acquired for co-linear polarization of the excitation pulses feature an additional peak originating from coherent energy transfer between the singlet and triplet. At cross-linear polarization of the excitation pulses, the 2DFT spectra expose a new peak likely originating from bound biexcitons. The polarization dependent 2DFT spectra are well reproduced by simulations using the optical Bloch equations for a four level system, where many-body effects are included phenomenologically. Although biexciton effects are thought to be strong in this material, only moderate contributions from bound biexciton creation can be observed. The biexciton binding energy of ∼2 meV was estimated from the separation of the peaks in the 2DFT spectra. Temperature dependent absorption and 2DFT measurements, combined with “ab initio” theoretical calculations of the phonon spectra, indicate strong interaction with the A{sub 1}{sup ′} phonon mode. Excitation density dependent 2DFT measurements reveal excitation induced dephasing and provide a lower limit for the homogeneous linewidth of the excitons in the present GaSe crystal.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Lattice model of linear telechelic polymer melts. I. Inclusion of chain semiflexibility in the lattice cluster theory

The lattice cluster theory (LCT) for the thermodynamics of polymer systems has recently been reformulated to treat strongly interacting self-assembling polymers composed of fully flexible linear telechelic chains [J. Dudowicz and K. F. Freed, J. Chem. Phys. 136, 064902 (2012)]. Here, we further extend the LCT for linear telechelic polymer melts to include a description of chain semiflexibility, which is treated by introducing a bending energy penalty whenever a pair of consecutive bonds from a single chain lies along orthogonal directions. An analytical expression for the Helmholtz free energy is derived for the model of semiflexible linear telechelic polymer melts. The extension provides a theoretical tool for investigating the influence of chain stiffness on the thermodynamics of self-assembling telechelic polymers, and for further exploring the influence of self-assembly on glass formation in such systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Capacitive coupling in hybrid graphene/GaAs nanostructures

Coupled hybrid nanostructures are demonstrated using the combination of lithographically patterned graphene on top of a two-dimensional electron gas (2DEG) buried in a GaAs/AlGaAs heterostructure. The graphene forms Schottky barriers at the surface of the heterostructure and therefore allows tuning the electronic density of the 2DEG. Conversely, the 2DEG potential can tune the graphene Fermi energy. Graphene-defined quantum point contacts in the 2DEG show half-plateaus of quantized conductance in finite bias spectroscopy and display the 0.7 anomaly for a large range of densities in the constriction, testifying to their good electronic properties. Finally, we demonstrate that the GaAs nanostructure can detect charges in the vicinity of the heterostructure's surface. This confirms the strong coupling of the hybrid device: localized states in the graphene ribbon could, in principle, be probed by the underlying confined channel. The present hybrid graphene/GaAs nanostructures are promising for the investigation of strong interactions and coherent coupling between the two fundamentally different materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Broadband resonances in indium-tin-oxide nanorod arrays

There is currently much discussion within the nanophotonics community regarding the origin of wavelength selective absorption/scattering of light by the resonances in nanorod arrays. Here, we report a study of resonances in ordered indium-tin-oxide nanorod arrays resulting from waveguide-like modes. We find that with only a 2.4% geometrical coverage, micron-length nanorod arrays interact strongly with light across a surprisingly wide band from the visible to the mid-infrared, resulting in less than 10% transmission. Simulations show excellent agreement with our experimental observations. The field profile in the vicinity of the rods obtained from simulations shows that the electric field is mainly localized on the surfaces of the nanorods for all resonances. Based on our analysis, the resonances in the visible are different in character from those in the infrared. When light is incident on the array, part of it propagates in the space between the rods and part of it is guided within the rods. The phase difference (interference) at the ends of the rods forms the basis for the resonances in the visible region. The resonances in the infrared are Fabry-Perot-like resonances involving standing surface waves between the opposing ends of the rods. Simple analytical formulae predict the spectral positions of these resonances. It is suggested that these phenomena can be utilized for wavelength-selective photodetectors, modulators, and nanorod-based solar cells.

14 SOLAR ENERGY↗

Four-way coupled simulations of small particles in turbulent channel flow: The effects of particle shape and Stokes number

This paper investigates the effects of particle shape and Stokes number on the behaviour of non-spherical particles in turbulent channel flow. Although there are a number of studies concerning spherical particles in turbulent flows, most important applications occurring in process, energy, and pharmaceutical industries deal with non-spherical particles. The computation employs a unique and novel four-way coupling with the Lagrangian point-particle approach. The fluid phase at low Reynolds number (Re{sub τ} = 150) is modelled by direct numerical simulation, while particles are tracked individually. Inter-particle and particle-wall collisions are also taken into account. To explore the effects of particles on the flow turbulence, the statistics of the fluid flow such as the fluid velocity, the terms in the turbulence kinetic energy equation, the slip velocity between the two phases and velocity correlations are analysed considering ellipsoidal particles with different inertia and aspect ratio. The results of the simulations show that the turbulence is considerably attenuated, even in the very dilute regime. The reduction of the turbulence intensity is predominant near the turbulence kinetic energy peak in the near wall region, where particles preferentially accumulate. Moreover, the elongated shape of ellipsoids strengthens the turbulence attenuation. In simulations with ellipsoidal particles, the fluid-particle interactions strongly depend on the orientation of the ellipsoids. In the near wall region, ellipsoids tend to align predominantly within the streamwise (x) and wall-normal (y) planes and perpendicular to the span-wise direction, whereas no preferential orientation in the central region of the channel is observed. Important conclusions from this work include the effective viscosity of the flow is not affected, the direct dissipation by the particles is negligible, and the primary mechanism by which the particles affect the flow is by altering the turbulence structure around the turbulence kinetic energy peak.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Theoretical study of hydrogen adsorption on Ca-decorated C{sub 48}B{sub 12} clusters

The hydrogen adsorption on Ca-decorated C{sub 48}B{sub 12} clusters is studied using density functional theory. The favorable binding site for Ca atom is the hexagonal C{sub 4}B{sub 2} rings. The strong interaction between Ca atoms and C{sub 48}B{sub 12} cluster hinders the aggregation of Ca atoms on the cluster surface. C{sub 48}B{sub 12} is an electron deficient system with a large electron affinity of 2.952 eV. The decorated Ca atoms transfer their electrons to the cluster easily. The net charges on the Ca atoms are in the range of 1.101 to 1.563 e. When H{sub 2} molecules approach the Ca atoms, they are moderately polarized and adsorbed around the Ca atoms in molecular form. The adsorption strength can reach up to 0.133 eV/H{sub 2}. Each Ca atom in the Ca-decorated C{sub 48}B{sub 12} complexes can adsorb three H{sub 2} molecules. The fully decorated C{sub 48}B{sub 12}Ca{sub 6} can hold up to 18 H{sub 2} molecules.

36 MATERIALS SCIENCE↗

Luminescence enhancement by energy transfer in melamine-Y{sub 2}O{sub 3}:Tb{sup 3+} nanohybrids

The phenomenon of luminescence enhancement was studied in melamine-Y{sub 2}O{sub 3}:Tb hybrids. Terbium doped Y{sub 2}O{sub 3} mesoporous nanowires were synthesized by hydrothermal method. X-ray diffraction patterns and Raman scattering spectra testified the realization of a cubic crystal phase. Organic-inorganic melamine-Y{sub 2}O{sub 3}:Tb{sup 3+} hybrid system was successfully obtained by vapour deposition method. Vibration Raman active modes of the organic counterpart were investigated in order to verify the achievement of hybrid system. Photoluminescence excitation and photoluminescence spectra, preformed in the region between 250 and 350 nm, suggest a strong interaction among melamine and Terbium ions. In particular, a remarkable improvement of {sup 5}D{sub 4}→ F{sub J} Rare Earth emission (at about 542 nm) of about 10{sup 2} fold was observed and attributed to an efficient organic-Tb energy transfer. The energy transfer mechanism was studied by the use of time resolved photoluminescence measurements. The melamine lifetime undergoes to a significant decrease when adsorbed to oxide surfaces and it was connected to a sensitization mechanism. The detailed analysis of time decay profile of Terbium radiative recombination shows a variation of double exponential law toward a single exponential one. Its correlation with surface defects and non-radiative recombination was thus discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Liquid-induced damping of mechanical feedback effects in single electron tunneling through a suspended carbon nanotube

In single electron tunneling through clean, suspended carbon nanotube devices at low temperature, distinct switching phenomena have regularly been observed. These can be explained via strong interaction of single electron tunneling and vibrational motion of the nanotube. We present measurements on a highly stable nanotube device, subsequently recorded in the vacuum chamber of a dilution refrigerator and immersed in the {sup 3}He/ {sup 4}He mixture of a second dilution refrigerator. The switching phenomena are absent when the sample is kept in the viscous liquid, additionally supporting the interpretation of dc-driven vibration. Transport measurements in liquid helium can thus be used for finite bias spectroscopy where otherwise the mechanical effects would dominate the current.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Photodissociation of the carbon monoxide dication in the {sup 3}Σ{sup −} manifold: Quantum control simulation towards the C{sup 2+} + O channel

The photodissociation and laser assisted dissociation of the carbon monoxide dication X{sup 3}Π CO{sup 2+} into the {sup 3}Σ{sup −} states are investigated. Ab initio electronic structure calculations of the adiabatic potential energy curves, radial nonadiabatic couplings, and dipole moments for the X {sup 3}Π state are performed for 13 excited {sup 3}Σ{sup −} states of CO{sup 2+}. The photodissociation cross section, calculated by time-dependent methods, shows that the C{sup +} + O{sup +} channels dominate the process in the studied energy range. The carbon monoxide dication CO{sup 2+} is an interesting candidate for control because it can be produced in a single, long lived, v = 0 vibrational state due to the instability of all the other excited vibrational states of the ground {sup 3}Π electronic state. In a spectral range of about 25 eV, perpendicular transition dipoles couple this {sup 3}Π state to a manifold of {sup 3}Σ{sup −} excited states leading to numerous C{sup +} + O{sup +} channels and a single C{sup 2+} + O channel. This unique channel is used as target for control calculations using local control theory. We illustrate the efficiency of this method in order to find a tailored electric field driving the photodissociation in a manifold of strongly interacting electronic states. The selected local pulses are then concatenated in a sequence inspired by the “laser distillation” strategy. Finally, the local pulse is compared with optimal control theory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Review of hadrons in medium

I review the present status in the theoretical and phenomenological understanding of hadron properties in strongly interacting matter. The topics covered are the EMC effect, nucleon structure functions in cold nuclear matter, spectral properties of light vector mesons in hot and cold nuclear matter, and in-medium properties of heavy flavored hadrons.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

The critical end point through observables

We develop the model of the critical phenomena of strongly interacting matter at high temperatures and baryon densities. The dual Yang-Mills theory with scalar degrees of freedom (the dilatons) is used. The dilatons are the consequence of a spontaneous breaking of a scale symmetry. The phase transitions are considered in systems where the field conjugate to the order parameter has the critical end mode. The critical end point (CEP) is a distinct singular feature existence of which is dictated by the chiral dynamics. The physical realization of CEP is via the influence quantum fluctuations of two-body Bose-Einstein correlations for observed particles to which the critical end mode couples.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Entropically induced asymmetric passage times of charged tracers across corrugated channels

We analyze the diffusion of charged and neutral tracers suspended in an electrolyte embedded in a channel of varying cross section. Making use of systematic approximations, the diffusion equation governing the motion of tracers is mapped into an effective 1D equation describing the dynamics along the longitudinal axis of the channel where its varying-section is encoded as an effective entropic potential. This simplified approach allows us to characterize tracer diffusion under generic confinement by measuring their mean first passage time (MFPT). In particular, we show that the interplay between geometrical confinement and electrostatic interactions strongly affect the MFTP of tracers across corrugated channels hence leading to alternative means to control tracers translocation across charged pores. Finally, our results show that the MFPTs of a charged tracer in opposite directions along an asymmetric channel may differ We expect our results to be relevant for biological as well synthetic devices whose dynamics is controlled by the detection of diluted tracers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Determining a hopping polaron's bandwidth from its Seebeck coefficient: Measuring the disorder energy of a non-crystalline semiconductor

Charge carriers that execute multi-phonon hopping generally interact strongly enough with phonons to form polarons. A polaron's sluggish motion is linked to slowly shifting atomic displacements that severely reduce the intrinsic width of its transport band. Here a means to estimate hopping polarons' bandwidths from Seebeck-coefficient measurements is described. The magnitudes of semiconductors' Seebeck coefficients are usually quite large (>k/|q| = 86 μV/K) near room temperature. However, in accord with the third law of thermodynamics, Seebeck coefficients must vanish at absolute zero. Here, the transition of the Seebeck coefficient of hopping polarons to its low-temperature regime is investigated. The temperature and sharpness of this transition depend on the concentration of carriers and on the width of their transport band. This feature provides a means of estimating the width of a polaron's transport band. Since the intrinsic broadening of polaron bands is very small, less than the characteristic phonon energy, the net widths of polaron transport bands in disordered semiconductors approach the energetic disorder experienced by their hopping carriers, their disorder energy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Dye-sensitization of CdS nano-cage - A density functional theory approach

Quantum dots a few nanometer in size exhibit unique properties in comparison to bulk due to quantum confinement. Their properties can be tuned according to their sizes. Dye sensitized quantum dot (DSQD) solar cells are based on the same principle with surface dangling bonds as a challenge. Researches have shown the existence and stability of nano-cages which are assembled such as to minimize the surface dangling bonds and hence maximize stability. Here, we report a first principles DFT study of optical and electronic properties of CdS-cage (Cd{sub 34}S{sub 34}) sensitized with nkx-2388 dye in three different geometric configurations of dye attachment. A significant distortion is found to occur in the geometric structure of the cage when it interacts strongly with the dye. The relative positioning of dye and cage energy levels is found to be different in different configurations. The absorption spectrum has been analyzed with the help of natural transition orbitals (NTO).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Enhanced flashover strength in polyethylene nanodielectrics by secondary electron emission modification

This work studies the correlation between secondary electron emission (SEE) characteristics and impulse surface flashover in polyethylene nanodielectrics both theoretically and experimentally, and illustrates the enhancement of flashover voltage in low-density polyethylene (LDPE) through incorporating Al{sub 2}O{sub 3} nanoparticles. SEE characteristics play key roles in surface charging and gas desorption during surface flashover. This work demonstrates that the presence of Al{sub 2}O{sub 3} nanoparticles decreases the SEE coefficient of LDPE and enhances the impact energy at the equilibrium state of surface charging. These changes can be explained by the increase of surface roughness and of surface ionization energy, and the strong interaction between nanoparticles and the polymer dielectric matrix. The surface charge and flashover voltage are calculated according to the secondary electron emission avalanche (SEEA) model, which reveals that the positive surface charges are reduced near the cathode triple point, while the presence of more nanoparticles in high loading samples enhances the gas desorption. Consequently, the surface flashover performance of LDPE/Al{sub 2}O{sub 3} nanodielectrics is improved.

77 NANOSCIENCE AND NANOTECHNOLOGY↗