Transport through a vibrating quantum dot: Polaronic effects

International Nuclear Information System (INIS)

Koch, T; Alvermann, A; Fehske, H; Loos, J; Bishop, A R

2010-01-01

We present a Green's function based treatment of the effects of electron-phonon coupling on transport through a molecular quantum dot in the quantum limit. Thereby we combine an incomplete variational Lang-Firsov approach with a perturbative calculation of the electron-phonon self energy in the framework of generalised Matsubara Green functions and a Landauer-type transport description. Calculating the ground-state energy, the dot single-particle spectral function and the linear conductance at finite carrier density, we study the low-temperature transport properties of the vibrating quantum dot sandwiched between metallic leads in the whole electron-phonon coupling strength regime. We discuss corrections to the concept of an anti-adiabatic dot polaron and show how a deformable quantum dot can act as a molecular switch.

Small polaron formation and motion of holes in a-SiO2

International Nuclear Information System (INIS)

Hughes, R.C.; Emin, D.

1978-01-01

X-ray generated holes in SiO 2 are observed to be reduced to low mobility in times of the order of vibrational periods, 10 -12 s. The temperature dependence, electric field dependence and magnitude of this mobility for times up to about 100 ns are consistent with those of hole-like small polarons. The circumstances which favor the occurrence of rapid small polaron formation are a large effective mass (narrow valence band), the presence of the long-range hole-lattice interaction characteristic of an ionic material and the presence of disorder, all of which are found in amorphous SiO 2 . An alternative explanation involving trapping requires an extremely large localized state density and fortuitous temperature and field dependences of the hopping rates

Transport and ordering of polarons in CER manganites PrCaMnO

International Nuclear Information System (INIS)

Schramm, S; Hoffmann, J; Jooss, Ch

2008-01-01

The temperature-dependent resistivity and the colossal resistance effect induced by strong electric fields of the small-band Pr 1-x Ca x MnO 3 (PCMO) manganites are analysed with respect to the influence of the Ca doping, post-annealing, the prehistory of the electric stimulation, and the physical dimensions of the sample. Despite the phase separation between charge and orbital ordered and disordered phases, PCMO reveals the properties of a homogeneous medium with a conductivity governed by the hopping of small polarons if the electric field is not too strong. In contrast, high electric fields induce a structural transition which gives rise to a glassy behaviour in the transient regime. In the low resistance state the small activation energy of charge carrier hopping implies a transition to large polaron hopping

Raman and optical spectroscopic studies of small-to-large polaron crossover in the perovskite manganese oxides

International Nuclear Information System (INIS)

Yoon, S.; Liu, H.L.; Schollerer, G.; Cooper, S.L.; Han, P.D.; Payne, D.A.; Cheong, S.; Fisk, Z.

1998-01-01

We present an optical reflectance and Raman-scattering study of the A 1-x A ' x MnO 3 system as a function of temperature and doping (0.2≤x≤0.5). The metal-semiconductor transition in the A 1-x A ' x MnO 3 system is characterized by a change from a diffusive electronic Raman-scattering response in the high-temperature paramagnetic phase, to a flat continuum scattering response in the low-temperature ferromagnetic phase. We interpret this change in the scattering response as a crossover from a small-polaron-dominated regime at high temperatures to a large-polaron-dominated low-temperature regime. Interestingly, we observe evidence for the coexistence of large and small polarons in the low-temperature ferromagnetic phase. We contrast these results with those obtained for EuB 6 , which is a low-T c magnetic semiconductor with similar properties to the manganites, but with a substantially reduced carrier density and polaron energy. copyright 1998 The American Physical Society

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

International Nuclear Information System (INIS)

Emin, David

2016-01-01

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

Direct observation of anisotropic small-hole polarons in an orthorhombic structure of BiV O4 films

Science.gov (United States)

Chaudhuri, A.; Mandal, L.; Chi, X.; Yang, M.; Scott, M. C.; Motapothula, M.; Yu, X. J.; Yang, P.; Shao-Horn, Y.; Venkatesan, T.; Wee, A. T. S.; Rusydi, A.

2018-05-01

Here, we report an anisotropic small-hole polaron in an orthorhombic structure of BiV O4 films grown by pulsed-laser deposition on yttrium-doped zirconium oxide substrate. The polaronic state and electronic structure of BiV O4 films are revealed using a combination of polarization-dependent x-ray absorption spectroscopy at V L3 ,2 edges, spectroscopic ellipsometry, x-ray photoemission spectroscopies, and high-resolution x-ray diffraction with the support of first-principles calculations. We find that in the orthorhombic phase, which is slightly different from the conventional pucherite structure, the unoccupied V 3d orbitals and charge inhomogeneities lead to an anisotropic small-hole polaron state. Our result shows the importance of the interplay of charge and lattice for the formation of a hole polaronic state, which has a significant impact in the electrical conductivity of BiV O4 , hence its potential use as a photoanode for water splitting.

Formation time of a small electron polaron in LiNbO3: measurements and interpretation

International Nuclear Information System (INIS)

Qiu, Yong; Ucer, K.B.; Williams, R.T.

2005-01-01

Infrared optical absorption attributed to the electron polaron on a non-defective site in LiNbO 3 and KNbO 3 has previously been observed using pulsed electron and laser techniques. With subpicosecond laser excitation and spectroscopy, it is possible to measure a rise time of the infrared absorption, which may be interpreted as the time for a band-state conduction electron to cool by phonon scattering, collapse its wavefunction around a site made attractive by thermal disorder, and relax vibrationally to a small polaron. This is a process which is of fundamental interest, involving dynamics of self-localization from band states and vibrational relaxation of a localized electron in an otherwise non-defective lattice. For example, Gavartin and Shluger have recently performed calculations on the role of thermal fluctuations in self-trapping of holes in MgO. We report initial measurements on the rise time of infrared absorption at 0.95 eV (Mg-perturbed polaron) in LiNbO 3 :Mg to be τ R ∼230 fs at T=20 K and τ R ∼110 fs at T=296 K. We discuss 2 stages that together may account for the delay and its temperature dependence: free-electron cooling and vibrational relaxation of a ''defect'' (small polaron) in a host. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Non-canonical distribution and non-equilibrium transport beyond weak system-bath coupling regime: A polaron transformation approach

Science.gov (United States)

Xu, Dazhi; Cao, Jianshu

2016-08-01

The concept of polaron, emerged from condense matter physics, describes the dynamical interaction of moving particle with its surrounding bosonic modes. This concept has been developed into a useful method to treat open quantum systems with a complete range of system-bath coupling strength. Especially, the polaron transformation approach shows its validity in the intermediate coupling regime, in which the Redfield equation or Fermi's golden rule will fail. In the polaron frame, the equilibrium distribution carried out by perturbative expansion presents a deviation from the canonical distribution, which is beyond the usual weak coupling assumption in thermodynamics. A polaron transformed Redfield equation (PTRE) not only reproduces the dissipative quantum dynamics but also provides an accurate and efficient way to calculate the non-equilibrium steady states. Applications of the PTRE approach to problems such as exciton diffusion, heat transport and light-harvesting energy transfer are presented.

A new DFT approach to model small polarons in oxides with proper account for long-range polarization

Science.gov (United States)

Kokott, Sebastian; Levchenko, Sergey V.; Scheffler, Matthias; Theory Department Team

In this work, we address two important challenges in the DFT description of small polarons (excess charges localized within one unit cell): sensitivity to the errors in exchange-correlation (XC) treatment and finite-size effects in supercell calculations. The polaron properties are obtained using a modified neutral potential-energy surface (PES). Using the hybrid HSE functional and considering the whole range 0 Deutsche Forschungsgemeinschaft).

Polaron interaction energies in reduced tungsten trioxide

International Nuclear Information System (INIS)

Iguchi, E.; Salje, E.; Tilley, R.J.D.

1981-01-01

Consideration of the properties of reduced tungsten trioxide suggest that the mobile charge carriers are polarons. As it is uncertain how the presence of polarons will influence the microstructures of the crystallographic shear (CS) planes present in reduced tungsten trioxide we have calculated both the polaron-CS plane and polaron-polaron interaction energy for a variety of circumstances. Three CS plane geometries were considered, (102), (103), and (001) CS plane arrays, and the nominal compositions of the crystals ranged from WO 2 70 to WO 3 0 . The polarons were assumed to have radii from 0.6 to 1.0 nm and the polaron-CS plane electrostatic interaction was assumed to be screened. The results suggest that for the most part the total interaction energy is small and is unlikely to be of major importance in controlling the microstructures found in CS planes. However, at very high polaron densities the interaction energy could be appreciable and may have some influence on the existence range of CS phases

Crossover from Polaronic to Magnetically Phase-Separated Behavior in La1-xSrxCoO3

Science.gov (United States)

Phelan, D.; El Khatib, S.; Wang, S.; Barker, J.; Zhao, J.; Zheng, H.; Mitchell, J. F.; Leighton, C.

2013-03-01

Dilute hole-doping in La1-xSrxCoO3 leads to the formation of ``spin-state polarons'' where a non-zero spin-state is stabilized on the nearest Co3+ ions surrounding a hole. Here, we discuss the development of electronic/magnetic properties of this system from non-magnetic x=0, through the regime of spin-state polarons, and into the region where longer-range spin correlations and phase separation develop. We present magnetometry, transport, heat capacity, and small-angle neutron scattering (SANS) on single crystals. Magnetometry indicates a crossover with x from Langevin-like behavior (polaronic) to a state with a freezing temperature and finite coercivity. Fascinating correlations with this behavior are seen in transport measurements, the evolution from polaronic to clustered states being accompanied by a crossover from Mott variable range hopping to intercluster hopping. SANS data shows Lorentzian scattering from short-range ferromagnetic clusters first emerging around x = 0.03 with correlation lengths of order two unit cells. We argue that this system provides a unique opportunity to understand in detail the crossover from polaronic to truly phase-separated states.

Full-counting statistics of energy transport of molecular junctions in the polaronic regime

International Nuclear Information System (INIS)

Tang, Gaomin; Yu, Zhizhou; Wang, Jian

2017-01-01

We investigate the full-counting statistics (FCS) of energy transport carried by electrons in molecular junctions for the Anderson–Holstein model in the polaronic regime. Using the two-time quantum measurement scheme, the generating function (GF) for the energy transport is derived and expressed as a Fredholm determinant in terms of Keldysh nonequilibrium Green’s function in the time domain. Dressed tunneling approximation is used in decoupling the phonon cloud operator in the polaronic regime. This formalism enables us to analyze the time evolution of energy transport dynamics after a sudden switch-on of the coupling between the dot and the leads towards the stationary state. The steady state energy current cumulant GF in the long time limit is obtained in the energy domain as well. Universal relations for steady state energy current FCS are derived under a finite temperature gradient with zero bias and this enabled us to express the equilibrium energy current cumulant by a linear combination of lower order cumulants. The behaviors of energy current cumulants in steady state under temperature gradient and external bias are numerically studied and explained. The transient dynamics of energy current cumulants is numerically calculated and analyzed. Universal scaling of normalized transient energy cumulants is found under both temperature gradient and external bias. (paper)

Dynamics of the optically-induced properties of a small-polaronic glass

International Nuclear Information System (INIS)

Emin, D.

1979-01-01

The relaxation and recombination of an electronic excitation created by the absorption of a super-band-gap photon is considered for a system in which excitons and charge carriers find it energetically favorable to self-trap. The notions of a barrier to self-trapping, a short-range repulsion between electrons and holes, and the electromodulation of the small-polaron absorption band play a central role in this discussion. The results are consistent with experiments on chalcogenide glasses

The effect of correlations on the non-ohmic behavior of the small-polaron hopping conductivity in 1D and 3D disordered systems

International Nuclear Information System (INIS)

Dimakogianni, M; Triberis, G P

2010-01-01

According to percolation theory the investigation of charge transport in disordered systems is equivalent to the study of the possibility of the passage of the carriers through a random network of impedances which interconnect the different lattice sites. When the site energies are not the same, the energy of a site affects the incoming as well as the outgoing impedances connected to the given site and this gives rise to correlations between neighboring impedances. This new condition characterizes the transport process and imposes the evaluation of the average number of sites accessible by a bond from a given site for all possible configurations of sites that satisfy the percolation condition. The generalized molecular crystal model, appropriate for the study of small-polaron hopping transport in disordered systems, and the Kubo formula permit the evaluation of these impedances. Taking correlations into account, theoretical percolation considerations applicable to one-dimensional and three-dimensional disordered systems, lead to analytical expressions for the temperature and electric field dependence of the DC conductivity at high (multi-phonon-assisted hopping) and low (few-phonon-assisted hopping) temperatures. The theoretical analysis reveals the effect of correlations on the non-ohmic behavior of the small-polaron hopping conductivity and permits the evaluation of the maximum hopping distance. Quantitative estimates of this effect are presented comparing the theoretical results, including correlations with those ignoring them, previously reported, applying them to recent experimental data for a wide temperature range and from low up to moderate electric fields.

Anisotropic small-polaron hopping in W:BiVO4 single crystals

International Nuclear Information System (INIS)

Rettie, Alexander J. E.; Chemelewski, William D.; Zhou, Jianshi; Lindemuth, Jeffrey; McCloy, John S.; Marshall, Luke G.; Emin, David; Mullins, C. Buddie

2015-01-01

DC electrical conductivity, Seebeck and Hall coefficients are measured between 300 and 450 K on single crystals of monoclinic bismuth vanadate that are doped n-type with 0.3% tungsten donors (W:BiVO 4 ). Strongly activated small-polaron hopping is implied by the activation energies of the Arrhenius conductivities (about 300 meV) greatly exceeding the energies characterizing the falls of the Seebeck coefficients' magnitudes with increasing temperature (about 50 meV). Small-polaron hopping is further evidenced by the measured Hall mobility in the ab-plane (10 −1  cm 2  V −1  s −1 at 300 K) being larger and much less strongly activated than the deduced drift mobility (about 5 × 10 −5  cm 2  V −1  s −1 at 300 K). The conductivity and n-type Seebeck coefficient is found to be anisotropic with the conductivity larger and the Seebeck coefficient's magnitude smaller and less temperature dependent for motion within the ab-plane than that in the c-direction. These anisotropies are addressed by considering highly anisotropic next-nearest-neighbor (≈5 Å) transfers in addition to the somewhat shorter (≈4 Å), nearly isotropic nearest-neighbor transfers

Small polaron conduction in lead modified lanthanum ferrite ceramics

Energy Technology Data Exchange (ETDEWEB)

Bhargav, K.K.; Ram, S.; Majumder, S.B., E-mail: subhasish@matsc.iitkgp.ernet.in

2015-07-25

Highlights: • La{sub 0.8}Pb{sub 0.2}FeO{sub 3} (ε{sub r} ∼ 30,000) shows higher dielectric constant than LaFeO{sub 3} (∼14,000). • Lower A-site dopant content, the dielectric maxima shift to higher temperature. • The frequency dependence of ε{sub r} and tan δ vs. temperature exhibit CDC like behavior. • R{sub g} and R{sub gb} of Pb modified LaFeO{sub 3} follow small polaron hopping conduction model. - Abstract: In the present work we have illustrated the physics of the electrical characteristics of nanocrystalline La{sub 1−x}Pb{sub x}FeO{sub 3,} (0 ⩽ x ⩽ 0.2) powder prepared using auto-combustion synthesis. The effect of lead doping on the dielectric, impedance and ac conductivity characteristics of lanthanum ferrite has systematically been investigated. The synthesized powders were phase pure and crystallized into centro-symmetric Pnma space group. As compared to pure LaFeO{sub 3} ceramics (dielectric constant ∼ 14,000), the dielectric constant is grossly increased (∼30,000) in Pb doped LaFeO{sub 3}. The temperature dependence of dielectric constant of 10.0 at.% Pb doped LaFeO{sub 3} exhibits dielectric maxima similar to that observed in ferroelectric ceramics with non-centrosymmetric point group. For La{sub 0.8}Pb{sub 0.2}FeO{sub 3} ceramics, the frequency dependence of the dielectric constant and loss tangent at various temperatures (300–450 K) exhibit typical colossal dielectric constant (CDC) like behavior. From the impedance spectroscopy we have estimated the grain and grain boundary resistance and capacitance of Pb doped LaFeO{sub 3} that follow a small polaron hopping conduction model. Long range movement of the charge carriers govern the CDC behavior.

Interplay of cross-plane polaronic transport and resistive switching in Pt–Pr0.67Ca0.33MnO3–Pt heterostructures

International Nuclear Information System (INIS)

Scherff, M; Hoffmann, J; Meyer, B; Danz, Th; Jooss, Ch

2013-01-01

The identification of the cross-plane electric transport mechanisms in different resistance states of metal–oxide sandwich structures is essential for gaining insights into the mechanisms of resistive switching (RS). Here, we present a systematic study of cross-plane electric transport properties of Pr 0.67 Ca 0.33 MnO 3 (PCMO) thin films sandwiched by precious Pt metal electrodes. We observe three different transport regimes: ohmic, nonlinear and RS. The nonlinear regime is associated with colossal magneto-resistance (CMR) and colossal electro-resistance (CER) effects. In contrast to RS, the CMR and CER are volatile resistance effects which persist only during application of strong magnetic or electric fields and they are restricted to low temperatures. At low current densities, the device resistance is dominated by small polaron hopping transport of the PCMO film. At higher electric current densities near the switching threshold, the interface resistance starts to dominate and remarkably also exhibits thermally activated transport properties. Our studies also shed light onto the interplay of colossal resistance effects and RS: at low temperatures, RS can be only induced by reduction of the PCMO resistivity through CMR and CER. This clearly demonstrates the key role of the current density for controlling the amplitude of non-volatile resistive changes. Conversely, the CMR can be used as a probe for the switching induced changes in disorder and correlations. At small switching amplitudes, we observe slight changes in polaron activation energy which can be attributed to changes at the interface. If the switching amplitude exceeds 1000% and more, the CMR effect in the device can be reversibly changed. This indicates persistent changes in electronic or lattice structure of large regions within the PCMO film. (paper)

Polaron crossover in molecular solids

International Nuclear Information System (INIS)

Zoli, Marco; Das, A N

2004-01-01

An analytical variational method is applied to the molecular Holstein Hamiltonian in which the dispersive features of the dimension dependent phonon spectrum are taken into account by a force constant approach. The crossover between a large and a small size polaron is monitored, in one, two and three dimensions and for different values of the adiabatic parameter, through the behaviour of the effective mass as a function of the electron-phonon coupling. By increasing the strength of the intermolecular forces the crossover becomes smoother and occurs at higher e-ph couplings. These effects are more evident in three dimensions. We show that our modified Lang-Firsov method starts to capture the occurrence of a polaron self-trapping transition when the electron energies become of order of the phonon energies. The self-trapping event persists in the fully adiabatic regime. At the crossover we estimate polaron effective masses of order ∼ 5-40 times the bare band mass according to the dimensionality and the value of the adiabatic parameter. Modified Lang-Firsov polaron masses are substantially reduced in two and three dimensions. There is no self-trapping in the antiadiabatic regime

Polarons in advanced materials

CERN Document Server

Alexandrov, Alexandre Sergeevich

2008-01-01

Polarons in Advanced Materials will lead the reader from single-polaron problems to multi-polaron systems and finally to a description of many interesting phenomena in high-temperature superconductors, ferromagnetic oxides, conducting polymers and molecular nanowires. The book divides naturally into four parts. Part I introduces a single polaron and describes recent achievements in analytical and numerical studies of polaron properties in different electron-phonon models. Part II and Part III describe multi-polaron physics, and Part IV describes many key physical properties of high-temperature superconductors, colossal magnetoresistance oxides, conducting polymers and molecular nanowires, which were understood with polarons and bipolarons. The book is written in the form of self-consistent reviews authored by well-established researchers actively working in the field and will benefit scientists and postgraduate students with a background in condensed matter physics and materials sciences.

Electric field control of the small-polaron hopping conduction in spatial confined Pr0.7(Ca0.6Sr0.40.3MnO3/PMN-PT heterostructure

Directory of Open Access Journals (Sweden)

Hao Kuang

2017-05-01

Full Text Available The electric field dependent high-temperature small-polaron hopping conduction was investigated in patterned Pr0.7(Ca0.6Sr0.40.3MnO3 strips. The small-polaronic activation energy EA and the carrier localization were found to decrease with the reduction of the strip size. Meanwhile, a similar dependence on the strip size was also obtained for the calculated small-polaron coupling constants, which could be related to the strain relaxation in strips. These results indicate that the spatial confinement prefers to delocalize the carrier and reduce the electron-phonon interaction. Furthermore, opposite variation trends of EA under negative and positive electric field were found in the strips with small size, which could be attributed to the enhancement of polarization effect induced by the reduction of strip size.

Polaron-mediated surface reconstruction in the reduced Rutile TiO2 (110) surface

Science.gov (United States)

Reticcioli, Michele; Setvin, Martin; Hao, Xianfeng; Diebold, Ulrike; Franchini, Cesare

The role of polarons is of key importance for the understanding of the fundamental properties and functionalities of TiO2. We use density functional theory with an on-site Coulomb interaction and molecular dynamics to study the formation and dynamics of small polarons in the reduced rutile (110) surface. We show that excess electrons donated by oxygen-vacancies (VO) form mobile small polarons that hop easily in subsurface and surface Ti-sites. The polaron formation becomes more favorable by increasing the VO concentration level (up to 20%) due to the progressively lower energy cost needed to distort the lattice. However, at higher VO concentration the shortening of the averaged polaron-polaron distance leads to an increased Coulomb repulsion among the trapped charges at the Ti-sites, which weakens this trend. This instability is overtaken by means of a structural 1 × 2 surface reconstruction, characterized by a distinctively more favorable polaron distribution. The calculations are validated by a direct comparison with experimental AFM and STM data. Our study identifies a fundamentally novel mechanism to drive surface reconstructions and resolves a long standing issue on the origin of the reconstruction in rutile (110) surface.

Appearance of small polaron hopping conduction in iron modified cobalt lithium bismuth borate glasses

Energy Technology Data Exchange (ETDEWEB)

Dahiya, M. S.; Khasa, S., E-mail: skhasa@yahoo.com; Yadav, Arti [Physics Department, Deenbandhu Chhotu Ram University of Science and Technology, Murthal, India-131039 (India); Agarwal, A. [Applied Physics Department, Guru Jambheshwara University of Science and Technology, Hisar, India-125001 (India)

2016-05-23

Lithium bismuth borate glasses containing different amounts of cobalt and iron oxides having chemical composition xFe{sub 2}O{sub 3}•(20-x)CoO•30Li{sub 2}O•10Bi{sub 2}O{sub 3}•40B{sub 2}O{sub 3} (x = 0, 5, 10, 15 and 20 mol% abbreviated as CFLBB1-5 respectively) prepared via melt quench technique have been investigated for their dc electrical conductivity. The amorphous nature of prepared glasses has been confirmed through X-ray diffraction measurements. The dc electrical conductivity has been analyzed by applying Mott’s small polaron hopping model. Activation energies corresponding to lower and higher temperature region have been evaluated. The iron ion concentration (N), mean spacing between iron ions (R) and polaron radius (R{sub p}) has been evaluated using the values of phonon radius (R{sub ph}) and Debye temperature (θ{sub D}). The glass sample without iron (CFLBB1) shows ionic conductivity but the incorporation of iron in the glass matrix results in the appearance of electronic conductivity.

Spin-polaron theory of high-Tc superconductivity: I, spin polarons and high-Tc pairing

International Nuclear Information System (INIS)

Wood, R.F.

1993-06-01

The concept of a spin polaron is introduced and contrasted with the more familiar ionic polaron picture. A brief review of aspects of ionic bipolaronic superconductivity is given with particular emphasis on the real-space pairing and true Bose condensation characteristics. The formation energy of spin polarons is then calculated in analogy with ionic polarons. The spin-flip energy of a Cu spin in an antiferromagnetically aligned CuO 2 plane is discussed. It is shown that the introduction of holes into the CuO 2 planes will always lead to the destruction of long-range AF ordering due to the formation of spin polarons. The pairing of two spin polarons can be expected because of the reestablishment of local (short-range) AF ordering; the magnitude of the pairing energy is estimated using a simplified model. The paper closes with a brief discussion of the formal theory of spin polarons

Stability and Polaronic Motion of Self-Trapped Holes in Silver Halides

DEFF Research Database (Denmark)

Loftager, Simon; Garcia-Fernandez, P.; Aramburu, J. A.

2016-01-01

Polarons and their associated transport properties are a field of great current interest both in chemistry and physics. To further our understanding of these quasi-particles, we have carried out first-principles calculations of self-trapped holes (STHs) in the model compounds AgCl and AgBr, for w......Polarons and their associated transport properties are a field of great current interest both in chemistry and physics. To further our understanding of these quasi-particles, we have carried out first-principles calculations of self-trapped holes (STHs) in the model compounds AgCl and Ag...

Polarons induced electronic transport, dielectric relaxation and magnetodielectric coupling in spin frustrated Ba{sub 2}FeWO{sub 6}

Energy Technology Data Exchange (ETDEWEB)

Pezhumkattil Palakkal, Jasnamol [Academy of Scientific and Innovative Research (AcSIR), CSIR—National Institute for Interdisciplinary Science and Technology (CSIR-NIIST) Campus, Trivandrum 695 019 (India); Materials Science and Technology Division, National Institute for Interdisciplinary Science and Technology, CSIR, Trivandrum 695 019 (India); Lekshmi, P. Neenu; Thomas, Senoy [Materials Science and Technology Division, National Institute for Interdisciplinary Science and Technology, CSIR, Trivandrum 695 019 (India); Valant, Matjaz [Materials Research Laboratory, University of Nova Gorica, Nova Gorica 5000 (Slovenia); Suresh, K.G. [Department of Physics, Indian Institute of Technology Bombay, Mumbai 400 076 (India); Varma, Manoj Raama, E-mail: manoj@niist.res.in [Academy of Scientific and Innovative Research (AcSIR), CSIR—National Institute for Interdisciplinary Science and Technology (CSIR-NIIST) Campus, Trivandrum 695 019 (India); Materials Science and Technology Division, National Institute for Interdisciplinary Science and Technology, CSIR, Trivandrum 695 019 (India)

2016-04-15

Highlights: • Ordered double perovskite Ba{sub 2}FeWO{sub 6} synthesized in reducing atmosphere possess a tetragonal I4/m crystal structure with mixed valent Fe/W cations. • Ba{sub 2}FeWO{sub 6} has an antiferromagnetic structure with T{sub N} at 19 K. • Insulating Ba{sub 2}FeWO{sub 6} shows different conducting mechanisms at different temperature regions and dielectric relaxation. • The polarons invoked by the mixed valence state of cations and their disordered arrangements are solely responsible for the various physical phenomena observed in Ba{sub 2}FeWO{sub 6}. - Abstract: Mixed valent double perovskite Ba{sub 2}FeWO{sub 6}, with tetragonal crystal structure, synthesized in a highly controlled reducing atmosphere, shows antiferromagnetic transition at T{sub N} = 19 K. A cluster glass-like transition is observed around 30 K arising from the competing interactions between inhomogeneous magnetic states. The structural distortion leads to the formation of polarons that are not contributing to DC conduction below charge ordering temperature, T{sub CO} = 279 K. Above T{sub CO}, small polarons will start to hop by exploiting thermal energy and participate in the conduction mechanism. The polarons are also responsible for the dielectric relaxor behavior, in which the dielectric relaxation time follows non-linearity in temperature as proposed by Fulcher. The material also exhibits a small room temperature magnetoresistance of 1.7% at 90 kOe. An intrinsic magnetodielectric coupling of ∼4% near room temperature and at lower temperatures, as well as an extrinsic magnetodielectric coupling change from +4% to −6% at around 210 K are reported.

Polaron variable range hopping in TiO2-δ(-0.04=<δ=<0.2) thin films

International Nuclear Information System (INIS)

Heluani, S.P.; Comedi, D.; Villafuerte, M.; Juarez, G.

2007-01-01

The mechanisms of electrical conduction in TiO 2-δ (-0.04= 2 +Ar gas atmospheres where changes in δ and film structure had been achieved by varying the O 2 flow rate and the substrate temperature. The electrical transport properties of these samples were investigated by measuring the conductivity as a function of temperature between 17K and room temperature. At the temperature range between 200 and 290K the best fit to the experimental data was obtained assuming a dependence characteristic of adiabatic variable range hopping. At lower temperature the activation energy for the conductivity tends to zero. The results suggest that the conduction mechanism is adiabatic small polaron hopping, which switches to conduction in a polaron band at low temperatures

Ground state energy of a polaron in a superlattice

International Nuclear Information System (INIS)

Mensah, S.Y.; Allotey, F.K.A.; Nkrumah, G.; Mensah, N.G.

2000-10-01

The ground state energy of a polaron in a superlattice was calculated using the double-time Green functions. The effective mass of the polaron along the planes perpendicular to the superlattice axis was also calculated. The dependence of the ground state energy and the effective mass along the planes perpendicular to the superlattice axis on the electron-phonon coupling constant α and on the superlattice parameters (i.e. the superlattice period d and the bandwidth Δ) were studied. It was observed that if an infinite square well potential is assumed, the ground state energy of the polaron decreases (i.e. becomes more negative) with increasing α and d, but increases with increasing Δ. For small values of α, the polaron ground state energy varies slowly with Δ, becoming approximately constant for large Δ. The effective mass along the planes perpendicular to the superlattice axis was found to be approximately equal to the mass of an electron for all typical values of α, d and Δ. (author)

Giant Optical Polarization Rotation Induced by Spin-Orbit Coupling in Polarons

Science.gov (United States)

Casals, Blai; Cichelero, Rafael; García Fernández, Pablo; Junquera, Javier; Pesquera, David; Campoy-Quiles, Mariano; Infante, Ingrid C.; Sánchez, Florencio; Fontcuberta, Josep; Herranz, Gervasi

2016-07-01

We have uncovered a giant gyrotropic magneto-optical response for doped ferromagnetic manganite La2 /3Ca1 /3MnO3 around the near room-temperature paramagnetic-to-ferromagnetic transition. At odds with current wisdom, where this response is usually assumed to be fundamentally fixed by the electronic band structure, we point to the presence of small polarons as the driving force for this unexpected phenomenon. We explain the observed properties by the intricate interplay of mobility, Jahn-Teller effect, and spin-orbit coupling of small polarons. As magnetic polarons are ubiquitously inherent to many strongly correlated systems, our results provide an original, general pathway towards the generation of magnetic-responsive gigantic gyrotropic responses that may open novel avenues for magnetoelectric coupling beyond the conventional modulation of magnetization.

Finite temperature dynamics of a Holstein polaron: The thermo-field dynamics approach

Science.gov (United States)

Chen, Lipeng; Zhao, Yang

2017-12-01

Combining the multiple Davydov D2 Ansatz with the method of thermo-field dynamics, we study finite temperature dynamics of a Holstein polaron on a lattice. It has been demonstrated, using the hierarchy equations of motion method as a benchmark, that our approach provides an efficient, robust description of finite temperature dynamics of the Holstein polaron in the simultaneous presence of diagonal and off-diagonal exciton-phonon coupling. The method of thermo-field dynamics handles temperature effects in the Hilbert space with key numerical advantages over other treatments of finite-temperature dynamics based on quantum master equations in the Liouville space or wave function propagation with Monte Carlo importance sampling. While for weak to moderate diagonal coupling temperature increases inhibit polaron mobility, it is found that off-diagonal coupling induces phonon-assisted transport that dominates at high temperatures. Results on the mean square displacements show that band-like transport features dominate the diagonal coupling cases, and there exists a crossover from band-like to hopping transport with increasing temperature when including off-diagonal coupling. As a proof of concept, our theory provides a unified treatment of coherent and incoherent transport in molecular crystals and is applicable to any temperature.

Excitonic and Polaronic Properties of 2D Hybrid Organic–Inorganic Perovskites

KAUST Repository

Yin, Jun

2017-01-20

We theoretically characterize the unusual white-light emission properties of two-dimensional (2D) hybrid organic inorganic perovskites with an APbX(4) structure (where A is a bidentate organic cation and X = Cl, Br). In addition to band structure calculations including corrections due to spin orbit couplings and electron hole interactions, a computationally intensive molecular cluster approach is exploited to describe the excitonic and polaronic properties of these 2D perovskites at the atomistic level. Upon adding or removing an electron from the neutral systems, we find that strongly localized small polarons form in the 2D clusters. The polaron charge density is distributed over just lattice sites, which is consistent with the calculated large polaron binding energies, on the order of similar to 0.4-1.2 eV.

DFT+U study of polaronic conduction in Li2O2 and Li2CO3

DEFF Research Database (Denmark)

García Lastra, Juan Maria; Myrdal, J.S.G.; Christensen, Rune

2013-01-01

The main discharge products formed at the cathode of nonaqueous Li-air batteries are known to be Li2O2 and residual Li2CO3. Recent experiments indicate that the charge transport through these materials is the main limiting factor for the battery performance. It has been also shown...... that the performance of the battery decreases drastically when the amount of Li2CO3 at the cathode increases with respect to Li2O2. In this work, we study the formation and transport of hole and electron polarons in Li2O2 and Li2CO3 using density functional theory (DFT) within the PBE+U approximation. For both...... materials, we find that the formation of polarons (both hole and electron) is stabilized with respect to the delocalized states for all physically relevant values of U. We find a much higher mobility for hole polarons than for the electron polarons, and we show that the poor charge transport in Li2CO3...

Continual integration method in the polaron model

International Nuclear Information System (INIS)

Kochetov, E.A.; Kuleshov, S.P.; Smondyrev, M.A.

1981-01-01

The article is devoted to the investigation of a polaron system on the base of a variational approach formulated on the language of continuum integration. The variational method generalizing the Feynman one for the case of the system pulse different from zero has been formulated. The polaron state has been investigated at zero temperature. A problem of the bound state of two polarons exchanging quanta of a scalar field as well as a problem of polaron scattering with an external field in the Born approximation have been considered. Thermodynamics of the polaron system has been investigated, namely, high-temperature expansions for mean energy and effective polaron mass have been studied [ru

Polaron self-localization in white-light emitting hybrid perovskites

KAUST Repository

Cortecchia, Daniele

2017-02-03

Two-dimensional (2D) perovskites with the general formula APbX are attracting increasing interest as solution processable, white-light emissive materials. Recent studies have shown that their broadband emission is related to the formation of intra-gap colour centres. Here, we provide an in-depth description of the charge localization sites underlying the generation of such radiative centres and their corresponding decay dynamics, highlighting the formation of small polarons trapped within their lattice distortion field. Using a combination of spectroscopic techniques and first-principles calculations to study the white-light emitting 2D perovskites (EDBE)PbCl and (EDBE)PbBr, we infer the formation of Pb , Pb, and X (where X = Cl or Br) species confined within the inorganic perovskite framework. Due to strong Coulombic interactions, these species retain their original excitonic character and form self-trapped polaron-excitons acting as radiative colour centres. These findings are expected to be relevant for a broad class of white-light emitting perovskites with large polaron relaxation energy.

Dynamics of photogenerated polarons and polaron pairs in P3HT thin films

Czech Academy of Sciences Publication Activity Database

Menšík, Miroslav; Pfleger, Jiří; Toman, Petr

2017-01-01

Roč. 677, 1 June (2017), s. 87-91 ISSN 0009-2614 R&D Projects: GA MŠk(CZ) LO1507 Institutional support: RVO:61389013 Keywords : poly(3-hexyl thiophene) * transient absorption spectroscopy * polaron and polaron pairs Subject RIV: CD - Macromolecular Chemistry OBOR OECD: Polymer science Impact factor: 1.815, year: 2016

Spin-polarons and high-Tc superconductivity

International Nuclear Information System (INIS)

Wood, R.F.

1994-03-01

The spin-polaron concept is introduced in analogy to ionic and electronic polarons and the assumptions underlying the author's approach to spin-polaron mediated high-T c superconductivity are discussed. Elementary considerations about the spin-polaron formation energy are reviewed and the possible origin of the pairing mechanism illustrated schematically. The electronic structure of the CuO 2 planes is treated from the standpoint of antiferromagnetic band calculations that lead directly to the picture of holes predominantly on the oxygen sublattice in a Mott-Hubbard/charge transfer insulator. Assuming the holes to be described in a Bloch representation but with the effective mass renormalized by spin-polaron formation, equations for the superconducting gap, Δ, and transition temperature, T c , are developed and the symmetry of Δ discussed. After further simplifications, T c is calculated as a function of the carrier concentration, x. It is shown that the calculated behavior of T c (x) follows the experimental results closely and leads to a natural explanation of the effects of under- and over-doping. The paper concludes with a few remarks about the evidence for the carriers being fermions (polarons) or bosons (bipolarons)

Hole polaron-polaron interaction in transition metal oxides and its limit to p-type doping

Science.gov (United States)

Chen, Shiyou; Wang, Lin-Wang

2014-03-01

Traditionally the origin of the poor p-type conductivity in some transition metal oxides (TMOs) was attributed to the limited hole concentration: the charge-compensating donor defects, such as oxygen vacancies and cation interstitials, can form spontaneously as the Fermi energy shifts down to near the valence band maximum. Besides the thermodynamic limit to the hole concentration, the limit to the hole mobility can be another possible reason, e.g., the hole carrier can form self-trapped polarons with very low carrier mobility. Although isolated hole polarons had been found in some TMOs, the polaron-polaron interaction is not well-studied. Here we show that in TMOs such as TiO2 and V2O5, the hole polarons prefer to bind with each other to form bipolarons, which are more stable than free hole carriers or separated polarons. This pushes the hole states upward into the conduction band and traps the holes. The rise of the Fermi energy suppresses the spontaneous formation of the charge-compensating donor defects, so the conventional mechanism becomes ineffective. Since it can happen in the impurity-free TMO lattices, independent of any extrinsic dopant, it acts as an intrinsic and general limit to the p-type conductivity in these TMOs. This material is based upon work performed by the JCAP, a US DOE Energy Innovation Hub, the NSFC (No. 61106087 and 91233121) and special funds for major state basic research (No. 2012CB921401).

Charge transport in organic crystals

Energy Technology Data Exchange (ETDEWEB)

Ortmann, Frank

2009-07-01

The understanding of charge transport is one of the central goals in the research on semiconducting crystals. For organic crystals this is particularly complicated due to the strength of the electron-phonon interaction which requires the description of a seamless transition between the limiting cases of a coherent band-transport mechanism and incoherent hopping. In this thesis, charge transport phenomena in organic crystals are studied by theoretical means. A theory for charge transport in organic crystals is developed which covers the whole temperature range from low T, where it reproduces an expression from the Boltzmann equation for band transport, via elevated T, where it generalizes Holstein's small-polaron theory to finite bandwidths, up to high T, for which a temperature dependence equal to Marcus' electron-transfer theory is obtained. Thereby, coherent band transport and thermally induced hopping are treated on equal footing while simultaneously treating the electron-phonon interaction non-perturbatively. By avoiding the approximation of narrow polaron bands the theory allows for the description of large and small polarons and serves as a starting point for computational studies. The theoretical description is completed by using ab initio material parameters for the selected crystals under study. These material parameters are taken from density functional theory calculations for durene, naphthalene, and guanine crystals. Besides the analysis of the transport mechanism, special focus is put on the study of the relationship between mobility anisotropy and structure of the crystals. This study is supported by a 3D-visualization method for the transport channels in such crystals which has been derived in this thesis. (orig.)

Optical Detection of Polarons in High - Tc Cuprate

International Nuclear Information System (INIS)

Calvani, P.; Capizzi, M.; Lupi, S.; Maselli, P.; Paolone, A.; Roy LURE, P.; Berger, H.

1995-01-01

The optical conductivity σ (ω) of slightly e-doped single-crystals of (Nd,Gd) 2 CuO 4-y shows local modes in the far-infrared as well as a broad infrared absorption centered at ∼ 0.1 eV (d-band). This latter shows a fine structure, in agreement with recent calculations of Alexandrov et al., which is made up by intense overtones of the local modes observed in the far-infrared. Similar polaronic structures are shown to exist in the normal metallic phase of Nd 2-x Ce x CuO 4-y and even in the σ (ω ) of YBCO crystals, measured by different authors. The present observations provide evidence for the existence of small polarons in all materials with a Cu-O plane

Diagrams in the polaron model

International Nuclear Information System (INIS)

Smondyrev, M.A.

1985-01-01

The perturbation theory for the polaron energy is systematically treated on the diagrammatic basis. Feynman diagrams being constructed allow to calculate the polaron energy up to the third order in powers of the coupling constant. Similar calculations are performed for the average number of virtual phonons

Strong-coupling polaron effect in quantum dots

International Nuclear Information System (INIS)

Zhu Kadi; Gu Shiwei

1993-11-01

Strong-coupling polaron in a parabolic quantum dot is investigated by the Landau-Pekar variational treatment. The polaron binding energy and the average number of virtual phonons around the electron as a function of the effective confinement length of the quantum dot are obtained in Gaussian function approximation. It is shown that both the polaron binding energy and the average number of virtual phonons around the electron decrease by increasing the effective confinement length. The results indicate that the polaronic effects are more pronounced in quantum dots than those in two-dimensional and three-dimensional cases. (author). 15 refs, 4 figs

Large polarons in lead halide perovskites

OpenAIRE

Miyata, Kiyoshi; Meggiolaro, Daniele; Trinh, M. Tuan; Joshi, Prakriti P.; Mosconi, Edoardo; Jones, Skyler C.; De Angelis, Filippo; Zhu, X.-Y.

2017-01-01

Lead halide perovskites show marked defect tolerance responsible for their excellent optoelectronic properties. These properties might be explained by the formation of large polarons, but how they are formed and whether organic cations are essential remain open questions. We provide a direct time domain view of large polaron formation in single-crystal lead bromide perovskites CH3NH3PbBr3 and CsPbBr3. We found that large polaron forms predominantly from the deformation of the PbBr3 ? framewor...

Small polaron hopping conduction in samples of ceramic La1.4Sr1.6Mn2O7.06

International Nuclear Information System (INIS)

Nakatsugawa, H.; Iguchi, E.; Jung, W.H.; Munakata, F.

1999-01-01

The ceramic sample of La 1.4 Sr 1.6 Mn 2 O 7.06 exhibits the metal-insulator transition and a negative magnetoresistance in the vicinity of the Curie temperature (T C ∼ 100 K). The dc magnetic susceptibility between 100 K and 280 K is nearly constant and decreases gradually with increasing temperature above 280 K. The measurements of dc resistivity and the thermoelectric power indicate that small polaron hopping conduction takes place at T > 280 K. The spin ordering due to the two-dimensional d x 2 -y 2 state occurring at T > 280 K is directly related to the hopping conduction above 280 K, although the spin ordering due to the one-dimensional d 3z 2 -r 2 state takes place at T > T C . The two-dimensional d x 2 -y 2 state extending within the MnO 2 sheets starts to narrow and leads to the carrier localisation at 280 K. The effective number of holes in this sample estimated from the thermoelectric power is considerably smaller than the nominal value. This indicates that the small polaron hopping conduction takes place predominantly within the in-plane MnO 2 sheets. A discussion is given of the experimental results of the ceramic sample of La 2/3 Ca 1/3 MnO 2.98 . Copyright (1999) CSIRO Australia

Frequency and temperature dependence of the electrical conductivity of KTaO3; Li and PbTiO3; La, Cu: Indication of a low temperature polaron mechanism

International Nuclear Information System (INIS)

Levstik, A.; Filipic, C.; Bidault, O.; Maglione, M.

2008-01-01

Recently, the concept of polarons has again been at the focus of solid-state research, as it can constitute the basis for understanding the high-temperature superconductivity or the colossal magnetoresistance of materials. More than a decade ago there were some indications that polarons play an important role in explaining low temperature maxima in imaginary part of the dielectric constant ε '' (T) in ABO 3 perovskites. In the present work we report the ac electrical conductivities of KTaO 3 ; Li and PbTiO 3 ; La, Cu and their frequency and temperature dependence. The real part of the complex ac conductivity was found to follow the universal dielectric response σ ' ∝ν s . A detailed theoretical analysis of the temperature dependence of the parameter s revealed that, at low temperatures, the tunnelling of small polarons is the dominating charge transport mechanism in ABO 3 perovskites

One dimensional polaron effects and current inhomogeneities in sequential phonon emission

Energy Technology Data Exchange (ETDEWEB)

Hellman, E.S.; Harris, J.S.; Hanna, C.; Laughlin, R.B.

1985-07-01

We have constructed a physical model to explain the tunneling current oscillations reported by Hickmott et al., for GaAs/AlGaAs heterostructures in high magnetic fields. We propose that the periodic structure observed is due to space charge which builds up in the undepleted layer when electrons enter it with energy just below the phonon emission threshold. Such electrons interact with the lattice to form polarons whose energy is pinned to the phonon energy, and thus has a very small group velocity. The polaron effect is strongly enhanced by the confinement of the electrons by the strong magnetic field. We infer from the current-voltage data that most of the tunneling current flows through a small area of the sample. The combined model gives reasonable quantitative agreement with experiment. 6 refs., 6 figs.

One dimensional polaron effects and current inhomogeneities in sequential phonon emission

International Nuclear Information System (INIS)

Hellman, E.S.; Harris, J.S.; Hanna, C.; Laughlin, R.B.

1985-07-01

We have constructed a physical model to explain the tunneling current oscillations reported by Hickmott et al., for GaAs/AlGaAs heterostructures in high magnetic fields. We propose that the periodic structure observed is due to space charge which builds up in the undepleted layer when electrons enter it with energy just below the phonon emission threshold. Such electrons interact with the lattice to form polarons whose energy is pinned to the phonon energy, and thus has a very small group velocity. The polaron effect is strongly enhanced by the confinement of the electrons by the strong magnetic field. We infer from the current-voltage data that most of the tunneling current flows through a small area of the sample. The combined model gives reasonable quantitative agreement with experiment. 6 refs., 6 figs

Explanation for the temperature dependence of plasma frequencies in SrTiO3 using mixed-polaron theory

International Nuclear Information System (INIS)

Eagles, D.M.; Georgiev, M.; Petrova, P.C.

1996-01-01

A theory of mixed polarons is used to interpret the published experimental results of Gervais et al. on temperature-dependent plasma frequencies in Nb-doped SrTiO 3 . For given polaron masses before mixing, the appropriate average mixed-polaron mass at any temperature T depends on two quantities, δ and b, which are measures of the separation between the bottoms of large and nearly small polaron bands before mixing and of a mixing matrix element; δ and b are assumed to have arbitrary linear dependences on T, probably related to a T dependence of the bare mass, and a term quadratic in T is included in δ, determined from the T dependence of large-polaron binding energies. Including a constraint on the ratio δ/|b| at low T from known masses from specific-heat data, satisfactory agreement is obtained with masses determined from plasma frequencies. This gives further support for the theory of mixed polarons in SrTiO 3 in addition to that already published. copyright 1996 The American Physical Society

Evidence for polaron conduction in nanostructured manganese ferrite

International Nuclear Information System (INIS)

Gopalan, E Veena; Anantharaman, M R; Malini, K A; Saravanan, S; Kumar, D Sakthi; Yoshida, Yasuhiko

2008-01-01

Nanoparticles of manganese ferrite were prepared by the chemical co-precipitation technique. The dielectric parameters, namely, real and imaginary dielectric permittivity (ε' and ε-prime), ac conductivity (σ ac ) and dielectric loss tangent (tanδ), were measured in the frequency range of 100 kHz-8 MHz at different temperatures. The variations of dielectric dispersion (ε') and dielectric absorption (ε-prime) with frequency and temperature were also investigated. The variation of dielectric permittivity with frequency and temperature followed the Maxwell-Wagner model based on interfacial polarization in consonance with Koops phenomenological theory. The dielectric loss tangent and hence ε-prime exhibited a relaxation at certain frequencies and at relatively higher temperatures. The dispersion of dielectric permittivity and broadening of the dielectric absorption suggest the possibility of a distribution of relaxation time and the existence of multiple equilibrium states in manganese ferrite. The activation energy estimated from the dielectric relaxation is found to be high and is characteristic of polaron conduction in the nanosized manganese ferrite. The ac conductivity followed a power law dependence σ ac = Bω n typical of charge transport assisted by a hopping or tunnelling process. The observed minimum in the temperature dependence of the frequency exponent n strongly suggests that tunnelling of the large polarons is the dominant transport process

Large polarons in lead halide perovskites

Science.gov (United States)

Miyata, Kiyoshi; Meggiolaro, Daniele; Trinh, M. Tuan; Joshi, Prakriti P.; Mosconi, Edoardo; Jones, Skyler C.; De Angelis, Filippo; Zhu, X.-Y.

2017-01-01

Lead halide perovskites show marked defect tolerance responsible for their excellent optoelectronic properties. These properties might be explained by the formation of large polarons, but how they are formed and whether organic cations are essential remain open questions. We provide a direct time domain view of large polaron formation in single-crystal lead bromide perovskites CH3NH3PbBr3 and CsPbBr3. We found that large polaron forms predominantly from the deformation of the PbBr3− frameworks, irrespective of the cation type. The difference lies in the polaron formation time, which, in CH3NH3PbBr3 (0.3 ps), is less than half of that in CsPbBr3 (0.7 ps). First-principles calculations confirm large polaron formation, identify the Pb-Br-Pb deformation modes as responsible, and explain quantitatively the rate difference between CH3NH3PbBr3 and CsPbBr3. The findings reveal the general advantage of the soft [PbX3]− sublattice in charge carrier protection and suggest that there is likely no mechanistic limitations in using all-inorganic or mixed-cation lead halide perovskites to overcome instability problems and to tune the balance between charge carrier protection and mobility. PMID:28819647

Effects of compositional defects on small polaron hopping in micas.

Science.gov (United States)

Rosso, Kevin M; Ilton, Eugene S

2005-06-22

Hartree-Fock calculations and electron transfer (ET) theory were used to model the effects of compositional defects on ET in the brucite-like octahedral sheet of mica. ET was modeled as an Fe(IIIII) valence interchange reaction across shared octahedral edges of the M2-M2 iron sublattice. The model entails the hopping of localized electrons and small polaron behavior. Hartree-Fock calculations indicate that substitution of F for structural OH bridges increases the reorganization energy lambda, decreases the electronic coupling matrix element V(AB), and thereby substantially decreases the hopping rate. The lambda increase arises from modification of the metal-ligand bond force constants, and the V(AB) decrease arises from reduction of superexchange interaction through anion bridges. Deprotonation of an OH bridge, consistent with a possible mechanism of maintaining charge neutrality during net oxidation, yields a net increase in the ET rate. Although substitution of Al or Mg for Fe in M1 sites distorts the structure of adjacent Fe-occupied M2 sites, the distortion has little net impact on ET rates through these M2 sites. Hence the main effect of Al or Mg substitution for Fe, should it occur in the M2 sublattice, is to block ET pathways. Collectively, these findings pave the way for larger-scale oxidation/reduction models to be constructed for realistic, compositionally diverse micas.

Neutron diffuse scattering in magnetite due to molecular polarons

International Nuclear Information System (INIS)

Yamada, Y.; Wakabayashi, N.; Nicklow, R.M.

1980-01-01

A detailed neutron diffuse scattering study has been carried out in order to verify a model which describes the property of valence fluctuations in magnetite above T/sub V/. This model assumes the existence of a complex which is composed of two excess electrons and a local displacement mode of oxygens within the fcc primitive cell. The complex is called a molecular polaron. It is assumed that at sufficiently high temperatures there is a random distribution of molecular polarons, which are fluctuating independently by making hopping motions through the crystal or by dissociating into smaller polarons. The lifetime of each molecular polaron is assumed to be long enough to induce an instantaneous strain field around it. Based on this model, the neutron diffuse scattering cross section due to randomly distributed dressed molecular polarons has been calculated. A precise measurement of the quasielastic scattering of neutrons has been carried out at 150 K. The observed results definitely show the characteristics which are predicted by the model calculation and, thus, give evidence for the existence of the proposed molecular polarons. From this standpoint, the Verwey transition of magnetite may be viewed as the cooperative ordering process of dressed molecular polarons. Possible extensions of the model to describe the ordering and the dynamical behavior of the molecular polarons are discussed

Chiral plaquette polaron theory of cuprate superconductivity

Science.gov (United States)

Tahir-Kheli, Jamil; Goddard, William A., III

2007-07-01

Ab initio density functional calculations on explicitly doped La2-xSrxCuO4 find that doping creates localized holes in out-of-plane orbitals. A model for cuprate superconductivity is developed based on the assumption that doping leads to the formation of holes on a four-site Cu plaquette composed of the out-of-plane A1 orbitals apical Opz , planar Cud3z2-r2 , and planar Opσ . This is in contrast to the assumption of hole doping into planar Cudx2-y2 and Opσ orbitals as in the t-J model. Allowing these holes to interact with the d9 spin background leads to chiral polarons with either a clockwise or anticlockwise charge current. When the polaron plaquettes percolate through the crystal at x≈0.05 for La2-xSrxCuO4 , a Cudx2-y2 and planar Opσ band is formed. The computed percolation doping of x≈0.05 equals the observed transition to the “metallic” and superconducting phase for La2-xSrxCuO4 . Spin exchange Coulomb repulsion with chiral polarons leads to d -wave superconducting pairing. The equivalent of the Debye energy in phonon superconductivity is the maximum energy separation between a chiral polaron and its time-reversed partner. This energy separation is on the order of the antiferromagnetic spin coupling energy, Jdd˜0.1eV , suggesting a higher critical temperature. An additive skew-scattering contribution to the Hall effect is induced by chiral polarons and leads to a temperature dependent Hall effect that fits the measured values for La2-xSrxCuO4 . The integrated imaginary susceptibility, observed by neutron spin scattering, satisfies ω/T scaling due to chirality and spin-flip scattering of polarons along with a uniform distribution of polaron energy splittings. The derived functional form is compatible with experiments. The static spin structure factor for chiral spin coupling of the polarons to the undoped antiferromagnetic Cud9 spins is computed for classical spins on large two-dimensional lattices and is found to be incommensurate with a

Method of T-products in polaron theory

International Nuclear Information System (INIS)

Bogolubov, N.N. Jr.; Kurbatov, A.M.; Kireev, A.N.

1985-11-01

T-products method is used for the investigation of equilibrium thermodynamic properties of Frohlich's model in polaron theory. Polaron free energy at finite temperatures is calculated on the basis of Bogolubov's variational principle. A trial function is chosen in the most general form corresponding to arbitrary number of oscillators harmonically interacting with electron. The upper bound to the polaron ground state energy in limiting case of weak interaction and low temperatures is obtained and investigated in detail. It is shown that the result becomes more exact by increasing the number of oscillators. (author)

Multiphonon generation during photodissociation of slow Landau-Pekar polarons

International Nuclear Information System (INIS)

Myasnikov, E. N.; Myasnikova, A. E.; Mastropas, Z. P.

2006-01-01

The spectra of the low-temperature photodissociation (photoionization) of Landau-Pekar polarons are calculated using the theory of quantum-coherent states and a new method of variation with respect to the parameters of phonon vacuum deformation. It is shown that the final polaron states upon photodissociation may have different numbers of phonons produced in a single dissociation event and different momenta of charge carriers. The spectrum of optical absorption related to the photodissociation of polarons exhibits a superposition of bands corresponding to various numbers of phonons formed as a result of dissociation of a single polaron. Due to a large width of the energy region corresponding to the final states of charge carriers, the halfwidth of each band is on the order of the energy of polaron coupling and is much greater than the phonon energy. For this reason, the individual phonon bands exhibit strong overlap. The very broad and, probably, structureless band formed as a result of the superposition of all these components begins at an energy equal to the sum of the polaron coupling energy (E p ) and the phonon energy. This band has a maximum at a frequency of about 5.6E p /ℎ and a halfwidth on the order of 5.6E p /ℎ at a unit effective mass (m* = m e ) of band electrons. For an effective charge carrier mass within m* = (1-3)m e , the energy of the polaron band maximum can be estimated as 5E p with an error of about 10%, and the halfwidth falls within 3.4E p 1/2 p . The multiphonon character of this band is related to a decay of the phonon condensate after the escape of charge carrier from a polaron. Such polarons are likely to be observed in the spectra of complex metal oxides, including high-temperature superconductors. Examples of such polaron bands in the reported absorption and photoconductivity spectra of nonstoichiometric cuprates, manganites, nickelates, and titanates are presented. A theory of the formation of Landau-Pekar polarons with the

Holstein polaron in a valley-degenerate two-dimensional semiconductor.

Science.gov (United States)

Kang, Mingu; Jung, Sung Won; Shin, Woo Jong; Sohn, Yeongsup; Ryu, Sae Hee; Kim, Timur K; Hoesch, Moritz; Kim, Keun Su

2018-05-28

Two-dimensional (2D) crystals have emerged as a class of materials with tunable carrier density 1 . Carrier doping to 2D semiconductors can be used to modulate many-body interactions 2 and to explore novel composite particles. The Holstein polaron is a small composite particle of an electron that carries a cloud of self-induced lattice deformation (or phonons) 3-5 , which has been proposed to play a key role in high-temperature superconductivity 6 and carrier mobility in devices 7 . Here we report the discovery of Holstein polarons in a surface-doped layered semiconductor, MoS 2 , in which a puzzling 2D superconducting dome with the critical temperature of 12 K was found recently 8-11 . Using a high-resolution band mapping of charge carriers, we found strong band renormalizations collectively identified as a hitherto unobserved spectral function of Holstein polarons 12-18 . The short-range nature of electron-phonon (e-ph) coupling in MoS 2 can be explained by its valley degeneracy, which enables strong intervalley coupling mediated by acoustic phonons. The coupling strength is found to increase gradually along the superconducting dome up to the intermediate regime, which suggests a bipolaronic pairing in the 2D superconductivity.

Charge Transport in 4 nm Molecular Wires with Interrupted Conjugation: Combined Experimental and Computational Evidence for Thermally Assisted Polaron Tunneling.

Science.gov (United States)

Taherinia, Davood; Smith, Christopher E; Ghosh, Soumen; Odoh, Samuel O; Balhorn, Luke; Gagliardi, Laura; Cramer, Christopher J; Frisbie, C Daniel

2016-04-26

We report the synthesis, transport measurements, and electronic structure of conjugation-broken oligophenyleneimine (CB-OPI 6) molecular wires with lengths of ∼4 nm. The wires were grown from Au surfaces using stepwise aryl imine condensation reactions between 1,4-diaminobenzene and terephthalaldehyde (1,4-benzenedicarbaldehyde). Saturated spacers (conjugation breakers) were introduced into the molecular backbone by replacing the aromatic diamine with trans-1,4-diaminocyclohexane at specific steps during the growth processes. FT-IR and ellipsometry were used to follow the imination reactions on Au surfaces. Surface coverages (∼4 molecules/nm(2)) and electronic structures of the wires were determined by cyclic voltammetry and UV-vis spectroscopy, respectively. The current-voltage (I-V) characteristics of the wires were acquired using conducting probe atomic force microscopy (CP-AFM) in which an Au-coated AFM probe was brought into contact with the wires to form metal-molecule-metal junctions with contact areas of ∼50 nm(2). The low bias resistance increased with the number of saturated spacers, but was not sensitive to the position of the spacer within the wire. Temperature dependent measurements of resistance were consistent with a localized charge (polaron) hopping mechanism in all of the wires. Activation energies were in the range of 0.18-0.26 eV (4.2-6.0 kcal/mol) with the highest belonging to the fully conjugated OPI 6 wire and the lowest to the CB3,5-OPI 6 wire (the wire with two saturated spacers). For the two other wires with a single conjugation breaker, CB3-OPI 6 and CB5-OPI 6, activation energies of 0.20 eV (4.6 kcal/mol) and 0.21 eV (4.8 kcal/mol) were found, respectively. Computational studies using density functional theory confirmed the polaronic nature of charge carriers but predicted that the semiclassical activation energy of hopping should be higher for CB-OPI molecular wires than for the OPI 6 wire. To reconcile the experimental and

Polaron as the extended particle model

International Nuclear Information System (INIS)

Kochetov, E.A.; Kuleshov, S.P.; Smondyrev, M.A.

1977-01-01

The polaron (a moving electron with concomitant lattice distortion) mass and energy are calculated. The problem of finding the Green function in the polaron model is solved. A number of the simplest approximations corresponding to the approximation in the picture of straight-line paths is considered. The case of strong coupling requires more detailed study of the particle motion in the effective field, caused by the significant polarization of vacuum near the particle. As a consequence, a more complex approximation of functional integrals is required. A variation method is used in this case. The bound state of a polaron interacting not only with photons, but also with some external classical field is investigated as well. A classical potential is considered as an example

Bi-Polaron Condensation in High Tc Superconductors

International Nuclear Information System (INIS)

Ranninger, J.

1995-01-01

On the basis of optical measurements-, photoemission-, EXAFS- and neutron scattering-experiments we conclude that itinerant valence electrons coexist with localized bi-polarons.Entering the metallic phase upon chemical doping, a charge transfer between the two electronic subsystems is triggered off. We show that as the temperature is lowered towards Tc this process leads to a delocalization of bi-polarons due to a precursor effect of superfluidity of those bi-polarons. Upon entering the superconducting phase, these bipolarons ultimately condense into a superfluid state which is expected to largely determine the superconducting properties of high Tc materials. (authors)

Effect of interchain coupling on the excited polaron in conjugated polymers

International Nuclear Information System (INIS)

Li, Xiao-xue; Chen, Gang

2017-01-01

Based on the one-dimensional extended Su–Schrieffer–Heeger model, we theoretically investigate the effect of interchain coupling on the formation and polarization of the single-excited state of polaron in conjugated polymers. It is found that there exists a turnover value of the coupling strength, over which the excited polaron could not be formed in either of the two coupled chains. Instead, a polaron-like particle is localized at the center of each chain. In addition, we also find that the reverse polarization of the excited polaron could be enhanced for some cases in polymer when the interchain coupling becomes strong until it exceeds the critical value. - Highlights: • Effect of interchain coupling on the single-excited state of polaron is studied. • When coupling strength exceeds critical value, the excited polaron is dissociated. • Soliton pair could be dissociated into polaron-like particle with strong coupling. • Reverse polarization of excited polaron is enhanced by weak interchain coupling. • Reverse polarization is obtained more easily in solid film of polymer molecules.

Effect of interchain coupling on the excited polaron in conjugated polymers

Energy Technology Data Exchange (ETDEWEB)

Li, Xiao-xue, E-mail: sps_lixx@ujn.edu.cn; Chen, Gang, E-mail: ss_cheng@ujn.edu.cn

2017-02-05

Based on the one-dimensional extended Su–Schrieffer–Heeger model, we theoretically investigate the effect of interchain coupling on the formation and polarization of the single-excited state of polaron in conjugated polymers. It is found that there exists a turnover value of the coupling strength, over which the excited polaron could not be formed in either of the two coupled chains. Instead, a polaron-like particle is localized at the center of each chain. In addition, we also find that the reverse polarization of the excited polaron could be enhanced for some cases in polymer when the interchain coupling becomes strong until it exceeds the critical value. - Highlights: • Effect of interchain coupling on the single-excited state of polaron is studied. • When coupling strength exceeds critical value, the excited polaron is dissociated. • Soliton pair could be dissociated into polaron-like particle with strong coupling. • Reverse polarization of excited polaron is enhanced by weak interchain coupling. • Reverse polarization is obtained more easily in solid film of polymer molecules.

Electrical transport properties of V2O5 thin films obtained by thermal annealing of layers grown by RF magnetron sputtering at room temperature

International Nuclear Information System (INIS)

Giannetta, H.M.R.; Calaza, C.; Lamas, D.G.; Fonseca, L.; Fraigi, L.

2015-01-01

The present study investigates the main electrical transport mechanism in V 2 O 5 thin films deposited by RF magnetron sputtering on the basis of the Mott's small polaron hopping model. The material under test was obtained at room temperature from a V 2 O 5 target and then oxidized at high temperature under air atmosphere to obtain the desired V 2 O 5 phase. The dependence of the electrical conductivity of the V 2 O 5 thin films with temperature was analyzed using the Mott's small polarons hopping transport model under the Schnakenberg form. Model results suggest a polaron binding energy W H = 0.1682 eV, with a structural disorder energy W D = 0.2241 eV and an optical phonon frequency ν 0 = 0.468 × 10 13 s −1 . These results are in agreement with data reported in literature for single crystal V 2 O 5 . However, the carrier mobility μ = 1.5019 × 10 −5 cm 2 /Vs computed in the non-adiabatic regime is significantly smaller than that of the single crystal, suggesting a strong electron–phonon coupling in the V 2 O 5 thin films obtained with the proposed deposition method. - Highlights: • A two-stage deposition method compatible with lift-off patterning is proposed. • V 2 O 5 films are deposited by RF magnetron sputtering and then annealed in air. • Films are analyzed by SEM and its pure phase nature is confirmed by XRD. • Electrical conductivity was fitted using Mott's model for small polarons. • Fit derived parameters confirm charge transport through small-polarons hopping

Polarons in acetanilide

Science.gov (United States)

Scott, Alwyn C.; Bigio, Irving J.; Johnston, Clifford T.

1989-06-01

The best available data are presented of the integrated intensity of the 1650-cm-1 band in crystalline acetanilide as a function of temperature. A concise theory of polaron states is presented and used to interpret the data.

Fundamental models of electronic transport in amorphous semiconductors

International Nuclear Information System (INIS)

Emin, D.

1982-01-01

Significant fundamental questions lie at the heart of our understanding of the electronic and optical properties of semiconducting and insulating glasses. In this article the principal features of the Mott-CFO model and the small-polaron model are described. While the Mott-CFO model seems to apply to the high-mobility electron transport in glassy SiO 2 and Cd 2 As 3 it does not appear applicable to the most frequently studied chalocogenide glasses. Furthermore, the Mott-CFO model does not account for as basic a feature as the sign of the Hall effect. On the other hand, the small-polaron model accounts for the observed d.c. conductivity, Peltier heat and Hall mobility in a very simple and direct manner

Weak coupling polaron and Landau-Zener scenario: Qubits modeling

Science.gov (United States)

Jipdi, M. N.; Tchoffo, M.; Fokou, I. F.; Fai, L. C.; Ateuafack, M. E.

2017-06-01

The paper presents a weak coupling polaron in a spherical dot with magnetic impurities and investigates conditions for which the system mimics a qubit. Particularly, the work focuses on the Landau-Zener (LZ) scenario undergone by the polaron and derives transition coefficients (transition probabilities) as well as selection rules for polaron's transitions. It is proven that, the magnetic impurities drive the polaron to a two-state superposition leading to a qubit structure. We also showed that the symmetry deficiency induced by the magnetic impurities (strong magnetic field) yields to the banishment of transition coefficients with non-stacking states. However, the transition coefficients revived for large confinement frequency (or weak magnetic field) with the orbital quantum numbers escorting transitions. The polaron is then shown to map a qubit independently of the number of relevant states with the transition coefficients lifted as LZ probabilities and given as a function of the electron-phonon coupling constant (Fröhlich constant).

Screening effect on the polaron by surface plasmons

Science.gov (United States)

Xu, Xiaoying; Xu, Xiaoshan; Seal, Katyayani; Guo, Hangwen; Shen, Jian; Low Dimensional Materials Physics, Oak Ridge National Lab Team; University of Tennessee Team; Physics Department, Fudan University Team

2011-03-01

Surface plasmons occur when the conduction electrons at a metal/dielectric interface resonantly interact with external electromagnetic fields. While surface plasmons in vicinity of a polaron in the dielectric material, a strong screening effect on polaron characteristics is introduced. In this work, we observed the reduction of polarons in multiferroic LuFe2O4, which is mainly contributed by surface plasmons. Research sponsored by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U. S. Department of Energy.

Observation of Spin-Polarons in a strongly interacting Fermi liquid

Science.gov (United States)

Zwierlein, Martin

2009-03-01

We have observed spin-polarons in a highly imbalanced mixture of fermionic atoms using tomographic RF spectroscopy. Feshbach resonances allow to freely tune the interactions between the two spin states involved. A single spin down atom immersed in a Fermi sea of spin up atoms can do one of two things: For strong attraction, it can form a molecule with exactly one spin up partner, but for weaker interaction it will spread its attraction and surround itself with a collection of majority atoms. This spin down atom ``dressed'' with a spin up cloud constitutes the spin-polaron. We have observed a striking spectroscopic signature of this quasi-particle for various interaction strengths, a narrow peak in the spin down spectrum that emerges above a broad background. The narrow width signals a long lifetime of the spin-polaron, much longer than the collision rate with spin up atoms, as it must be for a proper quasi-particle. The peak position allows to directly measure the polaron energy. The broad pedestal at high energies reveals physics at short distances and is thus ``molecule-like'': It is exactly matched by the spin up spectra. The comparison with the area under the polaron peak allows to directly obtain the quasi-particle weight Z. We observe a smooth transition from polarons to molecules. At a critical interaction strength of 1/kFa = 0.7, the polaron peak vanishes and spin up and spin down spectra exactly match, signalling the formation of molecules. This is the same critical interaction strength found earlier to separate a normal Fermi mixture from a superfluid molecular Bose-Einstein condensate. The spin-polarons determine the low-temperature phase diagram of imbalanced Fermi mixtures. In principle, polarons can interact with each other and should, at low enough temperatures, form a superfluid of p-wave pairs. We will present a first indication for interactions between polarons.

Importance of polaron effects for charge carrier mobility above and ...

Indian Academy of Sciences (India)

It is shown that the scattering of polaronic charge carriers and bosonic Cooper pairs at acoustic and optical phonons are responsible for the charge carrier mobility above and below the PG temperature. We show that the energy scales of the binding energies of large polarons and polaronic Cooper pairs can be identified by ...

Spectrally resolved hyperfine interactions between polaron and nuclear spins in organic light emitting diodes: Magneto-electroluminescence studies

Energy Technology Data Exchange (ETDEWEB)

Crooker, S. A.; Kelley, M. R.; Martinez, N. J. D.; Nie, W.; Mohite, A.; Nayyar, I. H.; Tretiak, S.; Smith, D. L. [Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Liu, F.; Ruden, P. P. [University of Minnesota, Minneapolis, Minnesota 55455 (United States)

2014-10-13

We use spectrally resolved magneto-electroluminescence (EL) measurements to study the energy dependence of hyperfine interactions between polaron and nuclear spins in organic light-emitting diodes. Using layered devices that generate bright exciplex emission, we show that the increase in EL emission intensity I due to small applied magnetic fields of order 100 mT is markedly larger at the high-energy blue end of the EL spectrum (ΔI/I ∼ 11%) than at the low-energy red end (∼4%). Concurrently, the widths of the magneto-EL curves increase monotonically from blue to red, revealing an increasing hyperfine coupling between polarons and nuclei and directly providing insight into the energy-dependent spatial extent and localization of polarons.

The Effects of Different Electron-Phonon Couplings on the Spectral and Transport Properties of Small Molecule Single-Crystal Organic Semiconductors

Directory of Open Access Journals (Sweden)

Carmine Antonio Perroni

2014-03-01

Full Text Available Spectral and transport properties of small molecule single-crystal organic semiconductors have been theoretically analyzed focusing on oligoacenes, in particular on the series from naphthalene to rubrene and pentacene, aiming to show that the inclusion of different electron-phonon couplings is of paramount importance to interpret accurately the properties of prototype organic semiconductors. While in the case of rubrene, the coupling between charge carriers and low frequency inter-molecular modes is sufficient for a satisfactory description of spectral and transport properties, the inclusion of electron coupling to both low-frequency inter-molecular and high-frequency intra-molecular vibrational modes is needed to account for the temperature dependence of transport properties in smaller oligoacenes. For rubrene, a very accurate analysis in the relevant experimental configuration has allowed for the clarification of the origin of the temperature-dependent mobility observed in these organic semiconductors. With increasing temperature, the chemical potential moves into the tail of the density of states corresponding to localized states, but this is not enough to drive the system into an insulating state. The mobility along different crystallographic directions has been calculated, including vertex corrections that give rise to a transport lifetime one order of magnitude smaller than the spectral lifetime of the states involved in the transport mechanism. The mobility always exhibits a power-law behavior as a function of temperature, in agreement with experiments in rubrene. In systems gated with polarizable dielectrics, the electron coupling to interface vibrational modes of the gate has to be included in addition to the intrinsic electron-phonon interaction. While the intrinsic bulk electron-phonon interaction affects the behavior of mobility in the coherent regime below room temperature, the coupling with interface modes is dominant for the

Quantum vibrational polarons: Crystalline acetanilide revisited

Science.gov (United States)

Hamm, Peter; Edler, Julian

2006-03-01

We discuss a refined theoretical description of the peculiar spectroscopy of crystalline acetanilide (ACN). Acetanilide is a molecular crystal with quasi-one-dimensional chains of hydrogen-bonded units, which is often regarded as a model system for the vibrational spectroscopy of proteins. In linear spectroscopy, the CO stretching (amide I) band of ACN features a double-peak structure, the lower of which shows a pronounced temperature dependence which has been discussed in the context of polaron theory. In nonlinear spectroscopy, both of these peaks respond distinctly differently. The lower-frequency band exhibits the anharmonicity expected from polaron theory, while the higher-frequency band responds as if it were quasiharmonic. We have recently related the response of the higher-frequency band to that of a free exciton [J. Edler and P. Hamm, J. Chem. Phys. 117, 2415 (2002)]. However, as discussed in the present paper, the free exciton is not an eigenstate of the full quantum version of the Holstein polaron Hamiltonian, which is commonly used to describe these phenomena. In order to resolve this issue, we present a numerically exact solution of the Holstein polaron Hamiltonian in one dimension (1D) and 3D. In 1D, we find that the commonly used displaced oscillator picture remains qualitatively correct, even for relatively large exciton coupling. However, the result is not in agreement with the experiment, as it fails to explain the free-exciton band. In contrast, when taking into account the 3D nature of crystalline acetanilide, certain parameter regimes exist where the displaced oscillator picture breaks down and states appear in the spectrum that indeed exhibit the characteristics of a free exciton. The appearance of these states is a speciality of vibrational polarons, whose source of exciton coupling is transition dipole coupling which is expected to have opposite signs of interchain and intrachain coupling.

Observation of semiconductor to metallic transition and polaron hopping in double perovskite Pr{sub 2}CoTiO{sub 6} ceramics

Energy Technology Data Exchange (ETDEWEB)

Mahato, Dev K., E-mail: drdevkumar@yahoo.com [Department of Physics, National Institute of Technology Patna, Patna 800005 (India); Sinha, T.P. [Department of Physics, Bose Institute, 93/1, APC Road, Kolkata 700009 (India)

2017-05-01

This paper describes semiconductor to metal transition and polaron conduction in double perovskite Pr{sub 2}CoTiO{sub 6} (PCTO) ceramics. The XRD pattern recorded at room temperature confirmed the pure phase, single crystalline structure. The semicircle arc in the impedance plot at each temperature can be attributed to the grain boundary contribution, indicating one dominating response in the measurement frequency range. The semiconductor to metallic transition was also confirmed by the variation of grain boundary resistance (R{sub gb}) with temperature. The activation energy estimated from the imaginary part of electrical modulus and impedance are found to be the characteristic of polaron conduction in PCTO. Ac conductivity followed power law dependence σ{sub ac} = Bω{sup n}. The observed variation of the exponent ‘n’ with temperature suggests the typical of charge transport assisted by a hopping process. The observed minimum in the temperature dependence of frequency exponent ‘n’ strongly suggests that the large polaron tunneling is the dominant transport process.

Diagrammatic Monte Carlo study of Fröhlich polaron dispersion in two and three dimensions

Science.gov (United States)

Hahn, Thomas; Klimin, Sergei; Tempere, Jacques; Devreese, Jozef T.; Franchini, Cesare

2018-04-01

We present results for the solution of the large polaron Fröhlich Hamiltonian in 3 dimensions (3D) and 2 dimensions (2D) obtained via the diagrammatic Monte Carlo (DMC) method. Our implementation is based on the approach by Mishchenko [A. S. Mishchenko et al., Phys. Rev. B 62, 6317 (2000), 10.1103/PhysRevB.62.6317]. Polaron ground state energies and effective polaron masses are successfully benchmarked with data obtained using Feynman's path integral formalism. By comparing 3D and 2D data, we verify the analytically exact scaling relations for energies and effective masses from 3 D →2 D , which provides a stringent test for the quality of DMC predictions. The accuracy of our results is further proven by providing values for the exactly known coefficients in weak- and strong-coupling expansions. Moreover, we compute polaron dispersion curves which are validated with analytically known lower and upper limits in the small-coupling regime and verify the first-order expansion results for larger couplings, thus disproving previous critiques on the apparent incompatibility of DMC with analytical results and furnishing useful reference for a wide range of coupling strengths.

Big magnetoresistance: magnetic polarons

International Nuclear Information System (INIS)

Teresa, J.M. de; Ibarra, M.R.

1997-01-01

By using several macro and microscopic experimental techniques we have given evidence for magnetoresistance in manganese oxides caused by the effect of the magnetic field on the magnetic polarons. (Author) 3 refs

Properties of a Bound Polaron under a Perpendicular Magnetic Field

International Nuclear Information System (INIS)

Liu Jia; Chen Ziyu; Xiao Jinglin; Huo Shufen

2007-01-01

We investigate the influence of a perpendicular magnetic field on a bound polaron near the interface of a polar-polar semiconductor with Rashba effect. The external magnetic field strongly changes the ground state binding energy of the polaron and the Rashba spin-orbit (SO) interaction originating from the inversion asymmetry in the heterostructure splits the ground state binding energy of the bound polaron. In this paper, we have shown how the ground state binding energy will be with the change of the external magnetic field, the location of a single impurity, the wave vector of the electron and the electron areal density, taking into account the SO coupling. Due to the presence of the phonons, whose energy gives negative contribution to the polaron's, the spin-splitting states of the bound polaron are more stable, and we find that in the condition of week magnetic field, the Zeeaman effect can be neglected.

Energy Migration in Organic Thin Films--From Excitons to Polarons

Science.gov (United States)

Mullenbach, Tyler K.

The rise of organic photovoltaic devices (OPVs) and organic light-emitting devices has generated interest in the physics governing exciton and polaron dynamics in thin films. Energy transfer has been well studied in dilute solutions, but there are emergent properties in thin films and greater complications due to complex morphologies which must be better understood. Despite the intense interest in energy transport in thin films, experimental limitations have slowed discoveries. Here, a new perspective of OPV operation is presented where photovoltage, instead of photocurrent, plays the fundamental role. By exploiting this new vantage point the first method of measuring the diffusion length (LD) of dark (non-luminescent) excitons is developed, a novel photodetector is invented, and the ability to watch exciton arrival, in real-time, at the donor-acceptor heterojunction is presented. Using an enhanced understanding of exciton migration in thin films, paradigms for enhancing LD by molecular modifications are discovered, and the first exciton gate is experimentally and theoretically demonstrated. Generation of polarons from exciton dissociation represents a second phase of energy migration in OPVs that remains understudied. Current approaches are capable of measuring the rate of charge carrier recombination only at open-circuit. To enable a better understanding of polaron dynamics in thin films, two new approaches are presented which are capable of measuring both the charge carrier recombination and transit rates at any OPV operating voltage. These techniques pave the way for a more complete understanding of charge carrier kinetics in molecular thin films.

Influence of quasi-particle density over polaron mobility in armchair graphene nanoribbons.

Science.gov (United States)

Silva, Gesiel Gomes; da Cunha, Wiliam Ferreira; de Sousa Junior, Rafael Timóteo; Almeida Fonseca, Antonio Luciano; Ribeiro Júnior, Luiz Antônio; E Silva, Geraldo Magela

2018-06-20

An important aspect concerning the performance of armchair graphene nanoribbons (AGNRs) as materials for conceiving electronic devices is related to the mobility of charge carriers in these systems. When several polarons are considered in the system, a quasi-particle wave function can be affected by that of its neighbor provided the two are close enough. As the overlap may affect the transport of the carrier, the question concerning how the density of polarons affect its mobility arises. In this work, we investigate such dependence for semiconducting AGNRs in the scope of nonadiabatic molecular dynamics. Our results unambiguously show an impact of the density on both the stability and average velocity of the quasi-particles. We have found a phase transition between regimes where increasing density stops inhibiting and starts promoting mobility; densities higher than 7 polarons per 45 Å present increasing mean velocity with increasing density. We have also established three different regions relating electric field and average velocity. For the lowest electric field regime, surpassing the aforementioned threshold results in overcoming the 0.3 Å fs-1 limit, thus representing a transition between subsonic and supersonic regimes. For the highest of the electric fields, density effects alone are responsible for a stunning difference of 1.5 Å fs-1 in the mean carrier velocity.

Electrical transport properties of V{sub 2}O{sub 5} thin films obtained by thermal annealing of layers grown by RF magnetron sputtering at room temperature

Energy Technology Data Exchange (ETDEWEB)

Giannetta, H.M.R., E-mail: hgiann@inti.gov.ar [Centro de Micro y Nano Electrónica del Bicentenario (CMNB), Instituto Nacional de Tecnología Industrial (INTI), San Martín, Buenos Aires (Argentina); Universidad Tecnológica Nacional (UTN) — Facultad Regional Buenos Aires (FRBA) (Argentina); Calaza, C. [Instituto de Microelectrónica de Barcelona, Centro Nacional de Microelectrónica (IMB-CNM, CSIC), Campus UAB, Bellaterra, 08193 Barcelona (Spain); Lamas, D.G. [Universidad Nacional del Comahue CONICET-CITEFA — Laboratorio de Caracterización de Materiales, Facultad de Ingeniería, Neuquen (Argentina); Fonseca, L. [Instituto de Microelectrónica de Barcelona, Centro Nacional de Microelectrónica (IMB-CNM, CSIC), Campus UAB, Bellaterra, 08193 Barcelona (Spain); Fraigi, L. [Centro de Micro y Nano Electrónica del Bicentenario (CMNB), Instituto Nacional de Tecnología Industrial (INTI), San Martín, Buenos Aires (Argentina); Universidad Tecnológica Nacional (UTN) — Facultad Regional Buenos Aires (FRBA) (Argentina)

2015-08-31

The present study investigates the main electrical transport mechanism in V{sub 2}O{sub 5} thin films deposited by RF magnetron sputtering on the basis of the Mott's small polaron hopping model. The material under test was obtained at room temperature from a V{sub 2}O{sub 5} target and then oxidized at high temperature under air atmosphere to obtain the desired V{sub 2}O{sub 5} phase. The dependence of the electrical conductivity of the V{sub 2}O{sub 5} thin films with temperature was analyzed using the Mott's small polarons hopping transport model under the Schnakenberg form. Model results suggest a polaron binding energy W{sub H} = 0.1682 eV, with a structural disorder energy W{sub D} = 0.2241 eV and an optical phonon frequency ν{sub 0} = 0.468 × 10{sup 13}s{sup −1}. These results are in agreement with data reported in literature for single crystal V{sub 2}O{sub 5}. However, the carrier mobility μ = 1.5019 × 10{sup −5} cm{sup 2}/Vs computed in the non-adiabatic regime is significantly smaller than that of the single crystal, suggesting a strong electron–phonon coupling in the V{sub 2}O{sub 5} thin films obtained with the proposed deposition method. - Highlights: • A two-stage deposition method compatible with lift-off patterning is proposed. • V{sub 2}O{sub 5} films are deposited by RF magnetron sputtering and then annealed in air. • Films are analyzed by SEM and its pure phase nature is confirmed by XRD. • Electrical conductivity was fitted using Mott's model for small polarons. • Fit derived parameters confirm charge transport through small-polarons hopping.

The Bogolubov Representation of the Polaron Model and Its Completely Integrable RPA-Approximation

International Nuclear Information System (INIS)

Bogolubov, Nikolai N. Jr.; Prykarpatsky, Yarema A.; Ghazaryan, Anna A.

2009-12-01

The polaron model in ionic crystal is studied in the N. Bogolubov representation using a special RPA-approximation. A new exactly solvable approximated polaron model is derived and described in detail. Its free energy at finite temperature is calculated analytically. The polaron free energy in the constant magnetic field at finite temperature is also discussed. Based on the structure of the N. Bogolubov unitary transformed polaron Hamiltonian a very important new result is stated: the full polaron model is exactly solvable. (author)

Small polarons and c-axis transport in highly anisotropic metals

International Nuclear Information System (INIS)

Ho, A.F.; Schofield, A.J.

2002-09-01

Motivated by the anomalous c-axis transport properties of the quasi two-dimensional metal, Sr 2 RuO 4 , and some of its relatives, we have studied the interlayer hopping of single electrons that are coupled strongly to c-axis bosons. We find a c-axis resistivity that reflects the in-plane electronic scattering in the low and very high temperature limits (relative to the characteristic temperature of the boson T boson ). For temperatures near the T boson , a broad maximum in the resistivity can appear for sufficiently strong electron-boson coupling. This feature may account for the observed 'metallic to non-metallic crossover' seen in these layered oxides, where the boson may be a phonon. (author)

Electronic and vibrational hopping transport in boron carbides

International Nuclear Information System (INIS)

Emin, D.

1991-01-01

General concepts of hopping-type transport and localization are reviewed. Disorder, electronic correlations and atomic displacements, effects ignored in electronic band structure calculations, foster localization of electronic charge carriers. Examples are given that illustrate the efficacy of these effects in producing localization. This introduction is followed by a brief discussion of the relation between hopping-type transport and localization. The fundamentals of the formation, localization, and hopping transport of small polarons and/or bipolarons is then described. Electronic transport in boron carbides is presented as an example of the adiabatic hopping of small bipolarons. Finally, the notion of vibrational hopping is introduced. The high-temperature thermal diffusion in boron carbides is presented as a potential application of this idea

Polaron Self-localization in White-light Emitting Hybrid Perovskites

OpenAIRE

Cortecchia, Daniele; Yin, Jun; Bruno, Annalisa; Lo, Shu-Zee Alencious; Gurzadyan, Gagik G.; Mhaisalkar, Subodh; Brédas, Jean-Luc; Soci, Cesare

2016-01-01

Two-dimensional (2D) perovskites with general formula $APbX_4$ are attracting increasing interest as solution processable, white-light emissive materials. Recent studies have shown that their broadband emission is related to the formation of intra-gap color centers; however, the nature and dynamics of the emissive species have remained elusive. Here we show that the broadband photoluminescence of the 2D perovskites $(EDBE)PbCl_4$ and $(EDBE)PbBr_4$ stems from the localization of small polaron...

Optical Characterization of the Hole Polaron in a Series of Diketopyrrolopyrrole Polymers Used for Organic Photovoltaics

Directory of Open Access Journals (Sweden)

Evan L. Williams

2014-12-01

Full Text Available A strategy that is often used for designing low band gap polymers involves the incorporation of electron-rich (donor and electron-deficient (acceptor conjugated segments within the polymer backbone. In this paper we investigate such a series of Diketopyrrolopyrrole (DPP-based co-polymers. The co-polymers consisted of a DPP unit attached to a phenylene, naphthalene, or anthracene unit. Additionally, polymers utilizing either the thiophene-flanked DPP or the furan-flanked DPP units paired with the naphthalene comonomer were compared. As these polymers have been used as donor materials and subsequent hole transporting materials in organic solar cells, we are specifically interested in characterizing the optical absorption of the hole polaron of these DPP based copolymers. We employ chemical doping, electrochemical doping, and photoinduced absorption (PIA studies to probe the hole polaron absorption spectra. While some donor-acceptor polymers have shown an appreciable capacity to generate free charge carriers upon photoexcitation, no polaron signal was observed in the PIA spectrum of the polymers in this study. The relations between molecular structure and optical properties are discussed.

Polaron binding energy in polymers: poly[methyl(phenyl)silylene

Czech Academy of Sciences Publication Activity Database

Nožár, Juraj; Nešpůrek, Stanislav; Šebera, Jakub

2012-01-01

Roč. 18, č. 2 (2012), s. 623-629 ISSN 1610-2940 R&D Projects: GA AV ČR KAN400720701 Institutional research plan: CEZ:AV0Z40500505 Keywords : polaron * polaron binding energy * polysilane Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.984, year: 2012

Polaron binding energy and effective mass in the GaAs film

International Nuclear Information System (INIS)

Wu Zhenhua; Yan Liangxing; Tian Qiang; Li Hua; Liu Bingcan

2012-01-01

The binding energy and effective mass of a polaron in a GaAs film deposited on the Al 0.3 Ga 0.7 As substrate are studied theoretically by using the fractional-dimensional space approach. Our calculations show that the polaron binding energy and mass shift decrease monotonously with increasing the film thickness. For the film thicknesses with L w ≤ 70Å and the substrate thicknesses with L b ≤ 200Å, the different values of the substrate thickness influence the polaron binding energy and mass shift in the GaAs film. The polaron binding energy and mass shift increase monotonously with increasing the substrate thickness. For the film thickness with L w ≥ 70Å or the substrate thicknesses with L b ≤ 200Å, the different values of the substrate thickness have no significant influence on the polaron binding energy and mass shift in the GaAs film deposited on the Al 0.3 Ga 0.7 As substrate.

Importance of polaron effects for charge carrier mobility above and ...

Indian Academy of Sciences (India)

Orifjon Ganiev

2017-05-30

May 30, 2017 ... sizes and effective masses are large polarons. According ... nating metallic and insulating domains with mobile ... The mobile polaronic carriers are con- ..... [51] T Kondo, Y Hamaya, A D Palczewski, T Takeuchi, J S Wen,.

Trapping, self-trapping and the polaron family

International Nuclear Information System (INIS)

Stoneham, A M; Gavartin, J; Shluger, A L; Kimmel, A V; Ramo, D Munoz; Roennow, H M; Aeppli, G; Renner, C

2007-01-01

The earliest ideas of the polaron recognized that the coupling of an electron to ionic vibrations would affect its apparent mass and could effectively immobilize the carrier (self-trapping). We discuss how these basic ideas have been generalized to recognize new materials and new phenomena. First, there is an interplay between self-trapping and trapping associated with defects or with fluctuations in an amorphous solid. In high dielectric constant oxides, like HfO 2 , this leads to oxygen vacancies having as many as five charge states. In colossal magnetoresistance manganites, this interplay makes possible the scanning tunnelling microscopy (STM) observation of polarons. Second, excitons can self-trap and, by doing so, localize energy in ways that can modify the material properties. Third, new materials introduce new features, with polaron-related ideas emerging for uranium dioxide, gate dielectric oxides, Jahn-Teller systems, semiconducting polymers and biological systems. The phonon modes that initiate self-trapping can be quite different from the longitudinal optic modes usually assumed to dominate. Fourth, there are new phenomena, like possible magnetism in simple oxides, or with the evolution of short-lived polarons, like muons or excitons. The central idea remains that of a particle whose properties are modified by polarizing or deforming its host solid, sometimes profoundly. However, some of the simpler standard assumptions can give a limited, indeed misleading, description of real systems, with qualitative inconsistencies. We discuss representative cases for which theory and experiment can be compared in detail

Polaron in the dilute critical Bose condensate

Science.gov (United States)

Pastukhov, Volodymyr

2018-05-01

The properties of an impurity immersed in a dilute D-dimensional Bose gas at temperatures close to its second-order phase transition point are considered. Particularly by means of the 1/N-expansion, we calculate the leading-order polaron energy and the damping rate in the limit of vanishing boson–boson interaction. It is shown that the perturbative effective mass and the quasiparticle residue diverge logarithmically in the long-length limit, signalling the non-analytic behavior of the impurity spectrum and pole-free structure of the polaron Green’s function in the infrared region, respectively.

Asymptotic dependence of Gross–Tulub polaron ground-state energy in the strong coupling region

Directory of Open Access Journals (Sweden)

N.I. Kashirina

2017-12-01

Full Text Available The properties of translationally invariant polaron functional have been investigated in the region of strong and extremely strong coupling. It has been shown that the Gross–Tulub polaron functional obtained earlier using the methods of field theory was derived only for the region , where is the Fröhlich constant of the electron-phonon coupling. Various representations of exact and approximate polaron functionals have been considered. Asymptotic dependences of the polaron energy have been obtained using a functional extending the Gross–Tulub functional to the region of extremely strong coupling. The asymptotic dependence of polaron energies for an extremely strong coupling are (for the one-parameter variational function fk, and (for a two-parameter function . It has been shown that the virial theorem 1:3:4 holds for the two-parameter function . Minimization of the approximate functional obtained by expanding the exact Gross–Tulub functional in a series on leads to a quadratic dependence of the polaron energy. This approximation is justified for . For a two-parameter function , the corresponding dependence has the form . However, the use of approximate functionals, in contrast to the strict variational procedure, when the exact polaron functional varies, does not guarantee obtaining the upper limit for the polaron energy.

Polarons and Mobile Impurities Near a Quantum Phase Transition

Science.gov (United States)

Shadkhoo, Shahriar

This dissertation aims at improving the current understanding of the physics of mobile impurities in highly correlated liquid-like phases of matter. Impurity problems pose challenging and intricate questions in different realms of many-body physics. For instance, the problem of ''solvation'' of charged solutes in polar solvents, has been the subject of longstanding debates among chemical physicists. The significant role of quantum fluctuations of the solvent, as well as the break down of linear response theory, render the ordinary treatments intractable. Inspired by this complicated problem, we first attempt to understand the role of non-specific quantum fluctuations in the solvation process. To this end, we calculate the dynamic structure factor of a model polar liquid, using the classical Molecular Dynamics (MD) simulations. We verify the failure of linear response approximation in the vicinity of a hydrated electron, by comparing the outcomes of MD simulations with the predictions of linear response theory. This nonlinear behavior is associated with the pronounced peaks of the structure factor, which reflect the strong fluctuations of the local modes. A cavity picture is constructed based on heuristic arguments, which suggests that the electron, along with the surrounding polarization cloud, behave like a frozen sphere, for which the linear response theory is broken inside and valid outside. The inverse radius of the spherical region serves as a UV momentum cutoff for the linear response approximation to be applicable. The problem of mobile impurities in polar liquids can be also addressed in the framework of the ''polaron'' problem. Polaron is a quasiparticle that typically acquires an extended state at weak couplings, and crossovers to a self-trapped state at strong couplings. Using the analytical fits to the numerically obtained charge-charge structure factor, a phenomenological approach is proposed within the Leggett's influence functional formalism, which

Strong-coupling Bose polarons out of equilibrium: Dynamical renormalization-group approach

Science.gov (United States)

Grusdt, Fabian; Seetharam, Kushal; Shchadilova, Yulia; Demler, Eugene

2018-03-01

When a mobile impurity interacts with a surrounding bath of bosons, it forms a polaron. Numerous methods have been developed to calculate how the energy and the effective mass of the polaron are renormalized by the medium for equilibrium situations. Here, we address the much less studied nonequilibrium regime and investigate how polarons form dynamically in time. To this end, we develop a time-dependent renormalization-group approach which allows calculations of all dynamical properties of the system and takes into account the effects of quantum fluctuations in the polaron cloud. We apply this method to calculate trajectories of polarons following a sudden quench of the impurity-boson interaction strength, revealing how the polaronic cloud around the impurity forms in time. Such trajectories provide additional information about the polaron's properties which are challenging to extract directly from the spectral function measured experimentally using ultracold atoms. At strong couplings, our calculations predict the appearance of trajectories where the impurity wavers back at intermediate times as a result of quantum fluctuations. Our method is applicable to a broader class of nonequilibrium problems. As a check, we also apply it to calculate the spectral function and find good agreement with experimental results. At very strong couplings, we predict that quantum fluctuations lead to the appearance of a dark continuum with strongly suppressed spectral weight at low energies. While our calculations start from an effective Fröhlich Hamiltonian describing impurities in a three-dimensional Bose-Einstein condensate, we also calculate the effects of additional terms in the Hamiltonian beyond the Fröhlich paradigm. We demonstrate that the main effect of these additional terms on the attractive side of a Feshbach resonance is to renormalize the coupling strength of the effective Fröhlich model.

Absolute instability of polaron mode in semiconductor magnetoplasma

Science.gov (United States)

Paliwal, Ayushi; Dubey, Swati; Ghosh, S.

2018-01-01

Using coupled mode theory under hydrodynamic regime, a compact dispersion relation is derived for polaron mode in semiconductor magnetoplasma. The propagation and amplification characteristics of the wave are explored in detail. The analysis deals with the behaviour of anomalous threshold and amplification derived from dispersion relation, as function of external parameters like doping concentration and applied magnetic field. The results of this investigation are hoped to be useful in understanding electron-longitudinal optical phonon interplay in polar n-type semiconductor plasmas under the influence of coupled collective cyclotron excitations. The best results in terms of smaller threshold and higher gain of polaron mode could be achieved by choosing moderate doping concentration in the medium at higher magnetic field. For numerical appreciation of the results, relevant data of III-V n-GaAs compound semiconductor at 77 K is used. Present study provides a qualitative picture of polaron mode in magnetized n-type polar semiconductor medium duly shined by a CO2 laser.

Disorder-tuned charge transport in organic semiconductors

Science.gov (United States)

Xu, Feng; Qiu, Dong; Yan, Dadong

2013-02-01

We propose that the polaron transport in organic semiconductors is remarkably tuned by the fluctuation of polarization energy. The tuning effect of energetic fluctuation not only causes a continuous transition from non-Arrhenius to Arrhenius temperature activated charge transport with increasing moderate disorder strengths but also results in a band-like conduction in the low disorder regime which benefits from the enhanced mobilities in shallow trap states. As a result, a unified description of polaron transport is obtained for a set of typical organic semiconductors.

Al-bound hole polarons in TiO2

International Nuclear Information System (INIS)

Stashans, Arvids; Bermeo, Sthefano

2009-01-01

Changes in the structural and electronic properties of TiO 2 (anatase and rutile) due to the Al-doping are studied using a quantum-chemical approach based on the Hartree-Fock theory. The formation of hole polarons trapped at oxygen sites near the Al impurity has been discovered and their spatial configuration are discussed. The occurrence of well-localized one-center hole polarons in rutile may influence its photocatalytic activity. Optical absorption energy for this hole center is obtained, 0.4 eV, using the ΔSCF approach.

A self-consistent theory of the magnetic polaron

International Nuclear Information System (INIS)

Marvakov, D.I.; Kuzemsky, A.L.; Vlahov, J.P.

1984-10-01

A finite temperature self-consistent theory of magnetic polaron in the s-f model of ferromagnetic semiconductors is developed. The calculations are based on the novel approach of the thermodynamic two-time Green function methods. This approach consists in the introduction of the ''irreducible'' Green functions (IGF) and derivation of the exact Dyson equation and exact self-energy operator. It is shown that IGF method gives a unified and natural approach for a calculation of the magnetic polaron states by taking explicitly into account the damping effects and finite lifetime. (author)

Mobility balance in the light-emitting layer governs the polaron accumulation and operational stability of organic light-emitting diodes

Science.gov (United States)

Kim, Jae-Min; Lee, Chang-Heon; Kim, Jang-Joo

2017-11-01

Organic light-emitting diode (OLED) displays are lighter and more flexible, have a wider color gamut, and consume less power than conventional displays. Stable materials and the structural design of the device are important for OLED longevity. Control of charge transport and accumulation in the device is particularly important because the interaction of excitons and polarons results in material degradation. This research investigated the charge dynamics of OLEDs experimentally and by drift-diffusion modeling. Parallel capacitance-voltage measurements of devices provided knowledge of charge behavior at different driving voltages. A comparison of exciplex-forming co-host and single host structures established that the mobility balance in the emitting layers determined the amount of accumulated polarons in those layers. Consequently, an exciplex-forming co-host provides a superior structure in terms of device lifetime and efficiency because of its well-balanced mobility. Minimizing polaron accumulation is key to achieving long OLED device lifetimes. This is a crucial aspect of device physics that must be considered in the device design structure.

Gross–Tulub polaron functional in the region of intermediate and strong coupling

Directory of Open Access Journals (Sweden)

N.I. Kashirina

2017-10-01

Full Text Available Properties of the polaron functional obtained as a result of averaging the Fröhlich Hamiltonian on the translation-invariant function have been investigated. The polaron functional can be represented in two different forms. It has been shown that the functional of translationally invariant Gross–Tulub polaron cannot be applied in the strong coupling region, where the real part of the complex quantity takes negative values. The function coincides in its structure with the dynamic susceptibility of degenerate electron gas. The necessary condition for obtaining correct results is investigation of the region of admissible values of the Gross–Tulub functional depending on properties of the function , variational parameters, and the electron-phonon interaction parameter α (Fröhlich coupling constant. A simple and exact formula for the recoil energy of the translationally invariant polaron has been derived, which makes it possible to extend the range of admissible values of the parameters of the electron-phonon interaction to the region of extremely strong coupling (α > 10, where . Numerical investigation of different forms of polaron functionals obtained using the field theory methods has been carried out.

Tracking polaron generation in electrochemically doped polyaniline thin films

Science.gov (United States)

Kalagi, S. S.; Patil, P. S.

2018-04-01

Electrochemically deposited polyaniline films on ITO substrates have been studied for their optical properties. π-π*transitions inducing the formation of polarons and bipolarons have been studied from the optical spectra. The generation of these quasiparticles and the corresponding quantum of energy stored has been analysed and calculated from the experimental data. The evolution of polaron with increased levels of protonation has been identified and the necessary energy required for the transitions have been explained with the help of band structure diagram.

Observation of Spin Polarons in a Tunable Fermi Liquid of Ultracold Atoms

Science.gov (United States)

Zwierlein, Martin

2009-05-01

We have observed spin polarons, dressed spin down impurities in a spin up Fermi sea of ultracold atoms via tomographic RF spectroscopy. Feshbach resonances allow to freely tune the interactions between the two spin states involved. A single spin down atom immersed in a Fermi sea of spin up atoms can do one of two things: For strong attraction, it can form a molecule with exactly one spin up partner, but for weaker interaction it will spread its attraction and surround itself with a collection of majority atoms. This spin down atom dressed with a spin up cloud constitutes the spin- or Fermi polaron. We have observed a striking spectroscopic signature of this quasi-particle for various interaction strengths, a narrow peak in the spin down spectrum that emerges above a broad background. The spectra allow us to directly measure the polaron energy and the quasi-particle residue Z. The polarons are found to be only weakly interacting with each other, and can thus be identified with the quasi-particles of Landau's Fermi liquid theory. At a critical interaction strength, we observe a transition from spin one-half polarons to spin zero molecules. At this point the Fermi liquid undergoes a phase transition into a superfluid Bose liquid.

Magnetic polarons in a nonequilibrium polariton condensate

Science.gov (United States)

Mietki, Paweł; Matuszewski, Michał

2017-09-01

We consider a condensate of exciton polaritons in a diluted magnetic semiconductor microcavity. Such a system may exhibit magnetic self-trapping in the case of sufficiently strong coupling between polaritons and magnetic ions embedded in the semiconductor. We investigate the effect of the nonequilibrium nature of exciton polaritons on the physics of the resulting self-trapped magnetic polarons. We find that multiple polarons can exist at the same time, and we derive a critical condition for self-trapping that is different from the one predicted previously in the equilibrium case. Using the Bogoliubov-de Gennes approximation, we calculate the excitation spectrum and provide a physical explanation in terms of the effective magnetic attraction between polaritons, mediated by the ion subsystem.

Electron localization, polarons and clustered states in manganites

International Nuclear Information System (INIS)

Mannella, N.

2004-01-01

Full text: A recent multi-spectroscopic study of prototypical colossal magnetoresistance (CMR) compounds La 1-x Sr x MnO 3 (LSMO, x = 0.3, 0.4) using photoemission (PE), x-ray absorption (XAS), x-ray emission (XES) and extended x-ray absorption e structure (EXAFS) has exposed a dramatic change in the electronic structure on crossing the ferromagnetic-to-paramagnetic transition temperature (T C ). In particular, this investigation revealed an increase of the Mn magnetic moment by ca. 1 Bohr magneton and charge transfer to the Mn atom on crossing T C concomitant with the presence of Jahn-Teller distortions, thus providing direct evidence of lattice polaron formation. These results thus challenge the belief of some authors that the LSMO compounds are canonical double-exchange (DE) systems in which polaron formation is unimportant, and thus help to unify the theoretical description of the CMR oxides. The relationship of these data to other recent work suggesting electron localization, polarons and phase separation, along with additional measurements of magnetic susceptibility indicating the formation of ferromagnetic clusters in the metallic paramagnetic state above T C will be discussed

Polaronic and dressed molecular states in orbital Feshbach resonances

Science.gov (United States)

Xu, Junjun; Qi, Ran

2018-04-01

We consider the impurity problem in an orbital Feshbach resonance (OFR), with a single excited clock state | e ↑⟩ atom immersed in a Fermi sea of electronic ground state | g ↓⟩. We calculate the polaron effective mass and quasi-particle residue, as well as the polaron to molecule transition. By including one particle-hole excitation in the molecular state, we find significant correction to the transition point. This transition point moves toward the BCS side for increasing particle densities, which suggests that the corresponding many-body physics is similar to a narrow resonance.

Al-bound hole polarons in TiO{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Stashans, Arvids, E-mail: arvids@utpl.edu.ec [Grupo de Fisicoquimica de Materiales, Instituto de Quimica Aplicada, Universidad Tecnica Particular de Loja, Apartado 11-01-608, Loja (Ecuador); Bermeo, Sthefano [Grupo de Fisicoquimica de Materiales, Instituto de Quimica Aplicada, Universidad Tecnica Particular de Loja, Apartado 11-01-608, Loja (Ecuador)] [Escuela de Electronica y Telecomunicaciones, Universidad Tecnica Particular de Loja, Apartado 11-01-608, Loja (Ecuador)

2009-09-18

Changes in the structural and electronic properties of TiO{sub 2} (anatase and rutile) due to the Al-doping are studied using a quantum-chemical approach based on the Hartree-Fock theory. The formation of hole polarons trapped at oxygen sites near the Al impurity has been discovered and their spatial configuration are discussed. The occurrence of well-localized one-center hole polarons in rutile may influence its photocatalytic activity. Optical absorption energy for this hole center is obtained, 0.4 eV, using the {Delta}SCF approach.

Polaron effects on the dc- and ac-tunneling characteristics of molecular Josephson junctions

Science.gov (United States)

Wu, B. H.; Cao, J. C.; Timm, C.

2012-07-01

We study the interplay of polaronic effect and superconductivity in transport through molecular Josephson junctions. The tunneling rates of electrons are dominated by vibronic replicas of the superconducting gap, which show up as prominent features in the differential conductance for the dc and ac current. For relatively large molecule-lead coupling, a features that appears when the Josephson frequency matches the vibron frequency can be identified with an over-the-gap structure observed by Marchenkov [Nat. Nanotech. 1748-338710.1038/nnano.2007.2182, 481 (2007)]. However, we are more concerned with the weak-coupling limit, where resonant tunneling through the molecular level dominates. We find that certain features involving both Andreev reflection and vibron emission show an unusual shift of the bias voltage V at their maximum with the gate voltage Vg as V˜(2/3)Vg. Moreover, due to the polaronic effect, the ac Josephson current shows a phase shift of π when the bias eV is increased by one vibronic energy quantum ℏωv. This distinctive even-odd effect is explained in terms of the different sign of the coupling to vibrons of electrons and of Andreev-reflected holes.

Quantum transition and decoherence of levitating polaron on helium film thickness under an electromagnetic field

Science.gov (United States)

Kenfack, S. C.; Fotue, A. J.; Fobasso, M. F. C.; Djomou, J.-R. D.; Tiotsop, M.; Ngouana, K. S. L.; Fai, L. C.

2017-12-01

We have studied the transition probability and decoherence time of levitating polaron in helium film thickness. By using a variational method of Pekar type, the ground and the first excited states of polaron are calculated above the liquid-helium film placed on the polar substrate. It is shown that the polaron transits from the ground to the excited state in the presence of an external electromagnetic field in the plane. We have seen that, in the helium film, the effects of the magnetic and electric fields on the polaron are opposite. It is also shown that the energy, transition probability and decoherence time of the polaron depend sensitively on the helium film thickness. We found that decoherence time decreases as a function of increasing electron-phonon coupling strength and the helium film thickness. It is seen that the film thickness can be considered as a new confinement in our system and can be adjusted in order to reduce decoherence.

Logarithmic corrections in a quantization rule. The polaron spectrum

International Nuclear Information System (INIS)

Karasev, M.V.; Pereskokov, A.V.

1994-01-01

A nonlinear integrodifferential equation that arises in polaron theory is considered. The integral nonlinearity is given by a convolution with the Coulomb potential. Radially symmetric solutions are sought. In the semiclassical limit, an equation for the self-consistent potential is found and studied. The potential has a logarithmic singularity at the origin, and also a turning point at 1. The phase shifts at these points are determined. The quantization rule that takes into account the logarithmic corrections gives a simple asymptotic formula for the polaron spectrum. Global semiclassical solutions of the original nonlinear equation are constructed. 18 refs., 1 tab

Quantum Monte Carlo simulations of the Fermi-polaron problem and bosons with Gaussian interactions

Energy Technology Data Exchange (ETDEWEB)

Kroiss, Peter Michael

2017-02-01

This thesis deals with the application of current Quantum Monte Carlo algorithms to many-body systems of fermionic and bosonic species. The first part applies the diagrammatic Monte Carlo method to the Fermi polaron problem, a system of an impurity interacting resonantly with a homogeneous Fermi bath. It is numerically shown that the three particle-hole diagrams do not contribute significantly to the final answer in a quasi-two-dimensional setup, thus demonstrating a nearly perfect destructive interference of contributions in subspaces with higher-order particle-hole lines. Consequently, for strong-enough confinement in the third direction, the transition between the polaron and the molecule ground state is found to be in good agreement with the pure two-dimensional case and agrees very well with the one found by the wave-function approach in the two-particle-hole subspace. In three-dimensional Fermi-polaron systems with mass imbalance of impurity and bath atoms, polaron energy and quasiparticle residue can be accurately determined over a broad range of impurity masses. Furthermore, the spectral function of an imbalanced polaron demonstrates the stability of the quasiparticle and also allows us to locate the repulsive polaron as an excited state. The quantitative exactness of two-particle-hole wave functions is investigated, resulting in a relative lowering of polaronic energies in the mass-imbalance phase diagram. Tan's contact coefficient for the mass-balanced polaron system is found to be in good agreement with variational methods. Mass-imbalanced systems can be studied experimentally by ultracold atom mixtures such as {sup 6}Li-{sup 40}K. In the second part of the thesis, the ground state of a two-dimensional system of Bose particles of spin zero, interacting via a repulsive Gaussian-Core potential, is investigated by means of path integral Monte Carlo simulations. The quantum phase diagram is qualitatively identical to that of two-dimensional Yukawa

Size dependent polaronic conduction in hematite

International Nuclear Information System (INIS)

Sharma, Monika; Banday, Azeem; Murugavel, Sevi

2016-01-01

Lithium Ion Batteries have been attracted as the major renewable energy source for all portable electronic devices because of its advantages like superior energy density, high theoretical capacity, high specific energy, stable cycling and less memory effects. Recently, α-Fe_2O_3 has been considered as a potential anode material due to high specific capacity, low cost, high abundance and environmental benignity. We have synthesized α-Fe_2O_3 with various sizes by using the ball milling and sol-gel procedure. Here, we report the dc conductivity measurement for the crystallite size ranging from 15 nm to 50 nm. It has been observed that the enhancement in the polaronic conductivity nearly two orders in magnitude while reducing the crystallite size from bulk into nano scale level. The enhancement in the conductivity is due to the augmented to compressive strain developed in the material which leads to pronounced decrease in the hopping length of polarons. Thus, nanocrystaline α-Fe_2O_3 may be a better alternative anode material for lithium ion batteries than earlier reported systems.

Quasi-one-dimensional polaronic states due to the preferential reduction in the Li sub 1 sub + sub x V sub 3 O sub 8 insertion electrode

CERN Document Server

Onoda, M

2003-01-01

The structural and electronic properties of the Li sub 1 sub + sub x V sub 3 O sub 8 insertion electrode, where 0 sup 0.1 with nearly stoichiometric oxygen atoms, small polarons exist without carrier-creation energy at high temperatures, while at low temperatures the conduction may be of variable-range hopping (VRH) type. For x > 0.2, one-dimensional magnetic properties appear due to sizable exchange couplings and order-disorder effects of additional Li ions may lead to significant change of transport properties. For the intermediate composition 0 < x sup<= 0.1, strong randomness of the Li doping and the congenital oxygen deficiency cause VRH states even at high temperatures.

Breakdown of the lattice polaron picture in La0.7Ca0.3MnO3 single crystals

International Nuclear Information System (INIS)

Chun, S. H.; Salamon, M. B.; Tomioka, Y.; Tokura, Y.

2000-01-01

When heated through the magnetic transition at T C , La 0.7 Ca 0.3 MnO 3 changes from a band metal to a polaronic insulator. The Hall constant R H , through its activated behavior and sign anomaly, provides key evidence for polaronic behavior. We use R H and the Hall mobility to demonstrate the breakdown of the polaron phase. Above 1.4T C , the polaron picture holds in detail, while below, the activation energies of both R H and the mobility deviate strongly from their polaronic values. These changes reflect the presence of metallic, ferromagnetic fluctuations, in the volume of which the Hall effect develops additional contributions tied to quantal phases. (c) 2000 The American Physical Society

An ab initio model of electron transport in hematite (a-Fe2O3) basal planes

International Nuclear Information System (INIS)

Rosso, Kevin M.; Smith, Dayle MA; Dupuis, Michel

2003-01-01

Transport of conduction electrons through basal planes of the hematite lattice was modeled as a valence alternation of iron cations using ab initio molecular orbital calculations and electron transfer theory. A cluster approach was successfully implemented to compute electron transfer rate-controlling quantities such as the reorganization energy and electronic coupling matrix element. Localization of a conduction electron at an iron lattice site is accompanied by large iron/oxygen bond length increases that give rise to a large inner-sphere component of the reorganization energy. The interaction between the reactant and product electronic states in the crossing?point configuration is substantial and leads to an adiabatic electron transfer system. Electron transfer is predicted to possess a small positive activation energy that turns out to be in excellent agreement with values deduced from conductivity measurements. Measured electron mobility can be explained in terms of nearest neighbor electron hops without significant contribution from iron atoms further away. Comparison of the predicted maximum polaron binding energy with the predicted half bandwidth indicates compliance with the small polaron condition. Therefore the localized electron treatment is appropriate to describe electron transport in this system

Influence of impurities on the polaron effective mass

International Nuclear Information System (INIS)

Lima, R.A.T. de.

1975-01-01

Using the Green Function formalism, it is verified the Rodriguez's model for the effective mass of the polaron at finite temperature in the presence of 'traps'. Some aspects of this model were discussed. (M.W.O.) [pt

Polaron scattering by an external field

International Nuclear Information System (INIS)

Kochetov, E.A.

1980-01-01

The problem of polaron scattering by an external field is studied. The problem is solved using the stationary scattering theory formalism based on two operators: the G Green function operator and the T scattering operator. The dependence of the scattering amplitude on the quasi particle structure is studied. The variation approach is used for estimation of the ground energy level

Size dependent polaronic conduction in hematite

Energy Technology Data Exchange (ETDEWEB)

Sharma, Monika; Banday, Azeem; Murugavel, Sevi [Department of Physics and Astrophysics, University of Delhi, Delhi – 110 007 (India)

2016-05-23

Lithium Ion Batteries have been attracted as the major renewable energy source for all portable electronic devices because of its advantages like superior energy density, high theoretical capacity, high specific energy, stable cycling and less memory effects. Recently, α-Fe{sub 2}O{sub 3} has been considered as a potential anode material due to high specific capacity, low cost, high abundance and environmental benignity. We have synthesized α-Fe{sub 2}O{sub 3} with various sizes by using the ball milling and sol-gel procedure. Here, we report the dc conductivity measurement for the crystallite size ranging from 15 nm to 50 nm. It has been observed that the enhancement in the polaronic conductivity nearly two orders in magnitude while reducing the crystallite size from bulk into nano scale level. The enhancement in the conductivity is due to the augmented to compressive strain developed in the material which leads to pronounced decrease in the hopping length of polarons. Thus, nanocrystaline α-Fe{sub 2}O{sub 3} may be a better alternative anode material for lithium ion batteries than earlier reported systems.

Defect chemistry of ''BaCuO2''. Pt. 2. Transport properties and nature of defects

International Nuclear Information System (INIS)

Chiodelli, G.; Consiglio Nazionale delle Ricerche, Pavia; Anselmi-Tamburini, U.; Consiglio Nazionale delle Ricerche, Pavia; Arimondi, M.; Consiglio Nazionale delle Ricerche, Pavia; Spinolo, G.; Consiglio Nazionale delle Ricerche, Pavia; Flor, G.; Consiglio Nazionale delle Ricerche, Pavia

1995-01-01

The charge transport properties of ''BaCuO 2 '' with 88:90 (Ba:Cu) cation ratio were characterized by thermopower, electrical conductivity and ionic transport number measurements in a wide range of temperature and oxygen partial pressure conditions. The nature of carriers is always represented by small polarons due to self-trapping of the electronic holes generated by the oxygen non-stoichiometry equilibrium. Some anomalies in carrier mobility as a function of temperature are shown not to be related to incomplete ionization of oxygen atoms on interstitial sites (orig.)

First-Principles Modeling of Polaron Formation in TiO2 Polymorphs.

Science.gov (United States)

Elmaslmane, A R; Watkins, M B; McKenna, K P

2018-06-21

We present a computationally efficient and predictive methodology for modeling the formation and properties of electron and hole polarons in solids. Through a nonempirical and self-consistent optimization of the fraction of Hartree-Fock exchange (α) in a hybrid functional, we ensure the generalized Koopmans' condition is satisfied and self-interaction error is minimized. The approach is applied to model polaron formation in known stable and metastable phases of TiO 2 including anatase, rutile, brookite, TiO 2 (H), TiO 2 (R), and TiO 2 (B). Electron polarons are predicted to form in rutile, TiO 2 (H), and TiO 2 (R) (with trapping energies ranging from -0.02 eV to -0.35 eV). In rutile the electron localizes on a single Ti ion, whereas in TiO 2 (H) and TiO 2 (R) the electron is distributed across two neighboring Ti sites. Hole polarons are predicted to form in anatase, brookite, TiO 2 (H), TiO 2 (R), and TiO 2 (B) (with trapping energies ranging from -0.16 eV to -0.52 eV). In anatase, brookite, and TiO 2 (B) holes localize on a single O ion, whereas in TiO 2 (H) and TiO 2 (R) holes can also be distributed across two O sites. We find that the optimized α has a degree of transferability across the phases, with α = 0.115 describing all phases well. We also note the approach yields accurate band gaps, with anatase, rutile, and brookite within six percent of experimental values. We conclude our study with a comparison of the alignment of polaron charge transition levels across the different phases. Since the approach we describe is only two to three times more expensive than a standard density functional theory calculation, it is ideally suited to model charge trapping at complex defects (such as surfaces and interfaces) in a range of materials relevant for technological applications but previously inaccessible to predictive modeling.

Correlation between excited d-orbital electron lifetime in polaron dynamics and coloration of WO3 upon ultraviolet exposure

Science.gov (United States)

Lee, Young-Ahn; Han, Seung-Ik; Rhee, Hanju; Seo, Hyungtak

2018-05-01

Polarons have been suggested to explain the mechanism of the coloration of WO3 induced by UV light. However, despite the many experimental results that support small polarons as a key mechanism, direct observation of the carrier dynamics of polarons have yet to be reported. Here, we investigate the correlation between the electronic structure and the coloration of WO3 upon exposure to UV light in 5% H2/N2 gas and, more importantly, reveal photon-induced excited d-electron generation/relaxation via the W5+ oxidation state. The WO3 is fabricated by radio-frequency magnetron sputtering. X-ray diffraction patterns show that prepared WO3 is amorphous. Optical bandgap of 3.1 eV is measured by UV-vis before and after UV light. The results of Fourier transform infrared and Raman exhibit pristine WO3 is formed with surface H2O. The colored WO3 shows reduced state of W5+ state (34.3 eV) by using X-ray photoelectron spectroscopy. The valence band maximum of WO3 after UV light in H2 is shifted from mid gap to shallow donor by using ultraviolet photoelectron spectroscopy. During the exploration of the carrier dynamics, pump (700 nm)-probe (1000 nm) spectroscopy at the femtosecond scale was used. The results indicated that electron-phonon relaxation of UV-irradiated WO3, which is the origin of the polaron-induced local surface plasmonic effect, is dominant, resulting in slow decay (within a few picoseconds); in contrast, pristine WO3 shows fast decay (less than a picosecond). Accordingly, the long photoinduced carrier relaxation is ascribed to the prolonged hot-carrier lifetime in reduced oxides resulting in a greater number of free d-electrons and, therefore, more interactions with the W5+ sub-gap states.

Polaronic transport and thermoelectricity in Fe1 -xCoxSb2S4 (x =0 , 0.1, and 0.2)

Science.gov (United States)

Liu, Yu; Kang, Chang-Jong; Stavitski, Eli; Du, Qianheng; Attenkofer, Klaus; Kotliar, G.; Petrovic, C.

2018-04-01

We report a study of Co-doped berthierite Fe1 -xCoxSb2S4 (x =0 , 0.1, and 0.2). The alloy series of Fe1 -xCoxSb2S4 crystallize in an orthorhombic structure with the Pnma space group, similar to FeSb2, and show semiconducting behavior. The large discrepancy between activation energy for conductivity, Eρ (146 ˜270 meV ), and thermopower, ES (47 ˜108 meV ), indicates the polaronic transport mechanism. Bulk magnetization and heat-capacity measurements of pure FeSb2S4 (x =0 ) exhibit a broad antiferromagnetic transition (TN=46 K ) followed by an additional weak transition (T*=50 K ). Transition temperatures (TN and T*) slightly decrease with increasing Co content x . This is also reflected in the thermal conductivity measurement, indicating strong spin-lattice coupling. Fe1 -xCoxSb2S4 shows relatively high value of thermopower (up to ˜624 μ V K-1 at 300 K) and thermal conductivity much lower when compared to FeSb2, a feature desired for potential applications based on FeSb2 materials.

Polaron self-localization in white-light emitting hybrid perovskites

KAUST Repository

Cortecchia, Daniele; Yin, Jun; Bruno, Annalisa; Lo, Shu Zee Alencious; Gurzadyan, Gagik G.; Mhaisalkar, Subodh; Bredas, Jean-Luc; Soci, Cesare

2017-01-01

within the inorganic perovskite framework. Due to strong Coulombic interactions, these species retain their original excitonic character and form self-trapped polaron-excitons acting as radiative colour centres. These findings are expected to be relevant

Zero-Magnetic-Field Spin Splitting of Polaron's Ground State Energy Induced by Rashba Spin-Orbit Interaction

International Nuclear Information System (INIS)

Liu Jia; Xiao Jingling

2006-01-01

We study theoretically the ground state energy of a polaron near the interface of a polar-polar semiconductor by considering the Rashba spin-orbit (SO) coupling with the Lee-Low-Pines intermediate coupling method. Our numerical results show that the Rashba SO interaction originating from the inversion asymmetry in the heterostructure splits the ground state energy of the polaron. The electron areal density and vector dependence of the ratio of the SO interaction to the total ground state energy or other energy composition are obvious. One can see that even without any external magnetic field, the ground state energy can be split by the Rashba SO interaction, and this split is not a single but a complex one. Since the presents of the phonons, whose energy gives negative contribution to the polaron's, the spin-splitting states of the polaron are more stable than electron's.

Linear and non-linear infrared response of one-dimensional vibrational Holstein polarons in the anti-adiabatic limit: Optical and acoustical phonon models

Science.gov (United States)

Falvo, Cyril

2018-02-01

The theory of linear and non-linear infrared response of vibrational Holstein polarons in one-dimensional lattices is presented in order to identify the spectral signatures of self-trapping phenomena. Using a canonical transformation, the optical response is computed from the small polaron point of view which is valid in the anti-adiabatic limit. Two types of phonon baths are considered: optical phonons and acoustical phonons, and simple expressions are derived for the infrared response. It is shown that for the case of optical phonons, the linear response can directly probe the polaron density of states. The model is used to interpret the experimental spectrum of crystalline acetanilide in the C=O range. For the case of acoustical phonons, it is shown that two bound states can be observed in the two-dimensional infrared spectrum at low temperature. At high temperature, analysis of the time-dependence of the two-dimensional infrared spectrum indicates that bath mediated correlations slow down spectral diffusion. The model is used to interpret the experimental linear-spectroscopy of model α-helix and β-sheet polypeptides. This work shows that the Davydov Hamiltonian cannot explain the observations in the NH stretching range.

Localized polarons and doorway vibrons in finite quantum structures

Czech Academy of Sciences Publication Activity Database

Fehske, H.; Wellein, G.; Loos, Jan; Bishop, A. R.

2008-01-01

Roč. 77, č. 8 (2008), 085117/1-085117/6 ISSN 1098-0121 Institutional research plan: CEZ:AV0Z10100521 Keywords : quantum dots * electron - phonon interaction * polarons Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.322, year: 2008

Transport Mechanisms in Organic Thin-Film Transistors

Science.gov (United States)

Fung, A. W. P.

1996-03-01

Recent success in fabricating field-effect transistors with polycrystalline α-sexithiophene (α-6T) has allowed us to study charge transport in this organic semiconductor. The appealing structural property that the oligomer chains are seated almost perpendicular to the substrate provides a model π-conjugated system which we find exhibits band transport at low temperatures. We observe a behavioral transition around 50K which is consistent with the metal-insulator transition in Holstein's small-polaron theory. The fact that we can observe intrinsic behavior means that the ambient-temperature mobility obtained in these transistors is optimal for α-6T. Agreement with the Holstein theory provides us with a prescription for rational design of materials for organic transistor applications. Work done in collaboration with L. Torsi, A. Dodabalapur, L. J. Rothberg and H. E. Katz.

Magnetic Polarons in Anisotropic Quantum Dots

Science.gov (United States)

Oszwaldowski, Rafal; Petukhov, Andre; Zutic, Igor

2010-03-01

Tunability of confinement in magnetically-doped quantum dots (QDs) allows to tailor magnetism to an extent not available in bulk semiconductors. Versatile control of magnetic ordering, along with piezomagnetism, has been predicted even at a fixed number of carriers [1]. Recent experiments on colloidal QDs revealed strongly bound magnetic polarons (MPs) [2]. Previous studies of MPs in bulk semiconductors showed that the mean-field theory predicts a spurious magnetic phase transition, which is removed by taking into account spin fluctuations [3]. Here we present our theoretical results for MPs forming in QDs with pronounced magnetic anisotropy, which influences the spin fluctuations. We apply our findings to explain some peculiarities of the magnetic behavior of type-II ZnSe/(Zn,Mn)Te QDs, where magnetic polarons are found to persist to at least 200K [4]. Supported by ONR, AFOSR, and NSF-ECCS CAREER. [4pt] [1] R. M. Abolfath, A. G. Petukhov, and I. Zutic, Phys. Rev. Lett. 101, 207202 (2008); I. Zutic and A. G. Petukhov, Nature Mater.4, 623 (2009). [0pt] [2] R. Beaulac et al., Science 325, 973 (2009). [0pt] [3] T. Dietl and J. Spalek, Phys. Rev. Lett. 48, 355 (1982). [0pt] [4] I. R. Sellers, R. Oszwaldowski, et al., preprint; I. R. Sellers et al., Phys. Rev. Lett. 100, 136405 (2008).

Possibility of observation of polaron normal modes at the far-infrared spectrum of acetanilide and related organics

Science.gov (United States)

Kalosakas, G.; Aubry, S.; Tsironis, G. P.

1998-10-01

We use a stationary and normal mode analysis of the semiclassical Holstein model in order to connect the low-frequency linear polaron modes to low-lying far-infrared lines of the acetanilide spectrum and through parameter fitting we comment on the validity of the polaron results in this system.

Effects of system-bath coupling on a photosynthetic heat engine: A polaron master-equation approach

Science.gov (United States)

Qin, M.; Shen, H. Z.; Zhao, X. L.; Yi, X. X.

2017-07-01

Stimulated by suggestions of quantum effects in energy transport in photosynthesis, the fundamental principles responsible for the near-unit efficiency of the conversion of solar to chemical energy became active again in recent years. Under natural conditions, the formation of stable charge-separation states in bacteria and plant reaction centers is strongly affected by the coupling of electronic degrees of freedom to a wide range of vibrational motions. These inspire and motivate us to explore the effects of the environment on the operation of such complexes. In this paper, we apply the polaron master equation, which offers the possibilities to interpolate between weak and strong system-bath coupling, to study how system-bath couplings affect the exciton-transfer processes in the Photosystem II reaction center described by a quantum heat engine (QHE) model over a wide parameter range. The effects of bath correlation and temperature, together with the combined effects of these factors are also discussed in detail. We interpret these results in terms of noise-assisted transport effect and dynamical localization, which correspond to two mechanisms underpinning the transfer process in photosynthetic complexes: One is resonance energy transfer and the other is the dynamical localization effect captured by the polaron master equation. The effects of system-bath coupling and bath correlation are incorporated in the effective system-bath coupling strength determining whether noise-assisted transport effect or dynamical localization dominates the dynamics and temperature modulates the balance of the two mechanisms. Furthermore, these two mechanisms can be attributed to one physical origin: bath-induced fluctuations. The two mechanisms are manifestations of the dual role played by bath-induced fluctuations depending on the range of parameters. The origin and role of coherence are also discussed. It is the constructive interplay between noise and coherent dynamics, rather

Bound magnetic polaron in a semimagnetic double quantum well

Science.gov (United States)

Kalpana, P.; Jayakumar, K.

2017-09-01

The effect of different combinations of the concentration of Mn2+ ion in the Quantum well Cd1-xinMnxin Te and the barrier Cd1-xoutMnxout Te on the Bound Magnetic Polaron (BMP) in a Diluted Magnetic Semiconductors (DMS) Double Quantum Well (DQW) has been investigated. The Schrodinger equation is solved variationally in the effective mass approximation through which the Spin Polaronic Shift (SPS) due to the formation of BMP has been estimated for various locations of the donor impurity in the DQW. The results show that the effect of the increase of Mn2+ ion composition with different combinations on SPS is predominant for On Centre Well (OCW) impurity when compared to all other impurity locations when there is no application of magnetic field (γ = 0), γ being a dimensionless parameter for the magnetic field, and the same is predominant for On Centre Barrier (OCB) impurity with the application of external magnetic field (γ = 0.15).

Multi-impurity polarons in a dilute Bose-Einstein condensate

International Nuclear Information System (INIS)

Santamore, D H; Timmermans, Eddy

2011-01-01

We describe the ground state of a large, dilute, neutral atom Bose-Einstein condensate (BEC) doped with N strongly coupled mutually indistinguishable, bosonic neutral atoms (referred to as ‘impurity’) in the polaron regime where the BEC density response to the impurity atoms remains significantly smaller than the average density of the surrounding BEC. We find that N impurity atoms with N ≠ 1 can self-localize at a lower value of the impurity-boson interaction strength than a single impurity atom. When the ‘bare’ short-range impurity-impurity repulsion does not play a significant role, the self-localization of multiple bosonic impurity atoms into the same single particle orbital (which we call co-self-localization) is the nucleation process of the phase separation transition. When the short-range impurity-impurity repulsion successfully competes with co-self-localization, the system may form a stable liquid of self-localized single impurity polarons. (paper)

Polaronic Nonmetal-Correlated Metal Crossover System β'-CuxV2O5 with Anharmonic Copper Oscillation and Thermoelectric Conversion Performance

Science.gov (United States)

Onoda, Masashige; Sato, Takuma

2017-12-01

The crystal structures and electronic properties of β'CuxV2O5 are explored through measurements of X-ray four-circle diffraction, electrical resistivity, thermoelectric power, thermal conductivity, magnetization, and electron paramagnetic resonance. For various compositions with 0.243 ≤ x ≤ 0.587, the crystal structures are redetermined through the anharmonic approach of the copper displacement factors, where the anharmonicity is reduced with increasing Cu concentration. The electron transport for x ≤ 0.45 is nonmetallic due to polaron hopping and the random potential of Cu ions, while for x = 0.60, a correlated Fermi-liquid state appears with a Wilson ratio of 1.3 and a Kadowaki-Woods ratio close to the universal value for heavy-fermion systems. At around x = 0.50, the polaronic bandwidth may broaden so that the Hubbard subbands caused by the electron correlation will overlap. The nonmetallic composition in the proximity of the nonmetal-metal crossover shows a dimensionless thermoelectric power factor of 10-2 at 300 K, partly due to the anharmonic copper oscillation.

Time Domain View of Liquid-like Screening and Large Polaron Formation in Lead Halide Perovskites

Science.gov (United States)

Joshi, Prakriti Pradhan; Miyata, Kiyoshi; Trinh, M. Tuan; Zhu, Xiaoyang

The structural softness and dynamic disorder of lead halide perovskites contributes to their remarkable optoelectronic properties through efficient charge screening and large polaron formation. Here we provide a direct time-domain view of the liquid-like structural dynamics and polaron formation in single crystal CH3NH3PbBr3 and CsPbBr3 using femtosecond optical Kerr effect spectroscopy in conjunction with transient reflectance spectroscopy. We investigate structural dynamics as function of pump energy, which enables us to examine the dynamics in the absence and presence of charge carriers. In the absence of charge carriers, structural dynamics are dominated by over-damped picosecond motions of the inorganic PbBr3- sub-lattice and these motions are strongly coupled to band-gap electronic transitions. Carrier injection from across-gap optical excitation triggers additional 0.26 ps dynamics in CH3NH3PbBr3 that can be attributed to the formation of large polarons. In comparison, large polaron formation is slower in CsPbBr3 with a time constant of 0.6 ps. We discuss how such dynamic screening protects charge carriers in lead halide perovskites. US Department of Energy, Office of Science - Basic Energy Sciences.

Polaron-electron assisted giant dielectric dispersion in SrZrO{sub 3} high-k dielectric

Energy Technology Data Exchange (ETDEWEB)

Borkar, Hitesh; Barvat, Arun; Pal, Prabir; Kumar, Ashok, E-mail: ashok553@nplindia.org [CSIR-National Physical Laboratory, Dr. K. S. Krishnan Marg, New Delhi 110012 (India); Academy of Scientific and Innovative Research (AcSIR), CSIR-National Physical Laboratory (CSIR-NPL) Campus, Dr. K S Krishnan Marg, New Delhi 110012 (India); Shukla, A. K. [CSIR-National Physical Laboratory, Dr. K. S. Krishnan Marg, New Delhi 110012 (India); Pulikkotil, J. J. [CSIR-National Physical Laboratory, Dr. K. S. Krishnan Marg, New Delhi 110012 (India); Academy of Scientific and Innovative Research (AcSIR), CSIR-National Physical Laboratory (CSIR-NPL) Campus, Dr. K S Krishnan Marg, New Delhi 110012 (India); Computation and Networking Facility, CSIR-National Physical Laboratory, New Delhi 110012 (India)

2016-06-07

The SrZrO{sub 3} is a well known high-k dielectric constant (∼22) and high optical bandgap (∼5.8 eV) material and one of the potential candidates for future generation nanoelectronic logic elements (8 nm node technology) beyond silicon. Its dielectric behavior is fairly robust and frequency independent till 470 K; however, it suffers a strong small-polaron based electronic phase transition (T{sub e}) linking 650 to 750 K. The impedance spectroscopy measurements revealed the presence of conducting grains and grain boundaries at elevated temperature which provide energetic mobile charge carriers with activation energy in the range of 0.7 to 1.2 eV supporting the oxygen ions and proton conduction. X-ray photoemission spectroscopy measurements suggest the presence of weak non-stoichiometric O{sup 2−} anions and hydroxyl species bound to different sites at the surface and bulk. These thermally activated charge carriers at elevated temperature significantly contribute to the polaronic based dielectric anomaly and conductivity. Our dielectric anomaly supports pseudo phase transition due to high degree of change in ZrO{sub 6} octahedral angle in the temperature range of 650–750 K, where electron density and phonon vibration affect the dielectric and conductivity properties.

Structural correlations in the generation of polaron pairs in low-bandgap polymers for photovoltaics

Science.gov (United States)

Tautz, Raphael; da Como, Enrico; Limmer, Thomas; Feldmann, Jochen; Egelhaaf, Hans-Joachim; von Hauff, Elizabeth; Lemaur, Vincent; Beljonne, David; Yilmaz, Seyfullah; Dumsch, Ines; Allard, Sybille; Scherf, Ullrich

2012-07-01

Polymeric semiconductors are materials where unique optical and electronic properties often originate from a tailored chemical structure. This allows for synthesizing conjugated macromolecules with ad hoc functionalities for organic electronics. In photovoltaics, donor-acceptor co-polymers, with moieties of different electron affinity alternating on the chain, have attracted considerable interest. The low bandgap offers optimal light-harvesting characteristics and has inspired work towards record power conversion efficiencies. Here we show for the first time how the chemical structure of donor and acceptor moieties controls the photogeneration of polaron pairs. We show that co-polymers with strong acceptors show large yields of polaron pair formation up to 24% of the initial photoexcitations as compared with a homopolymer (η=8%). π-conjugated spacers, separating the donor and acceptor centre of masses, have the beneficial role of increasing the recombination time. The results provide useful input into the understanding of polaron pair photogeneration in low-bandgap co-polymers for photovoltaics.

Magnon Polarons in the Spin Seebeck Effect.

Science.gov (United States)

Kikkawa, Takashi; Shen, Ka; Flebus, Benedetta; Duine, Rembert A; Uchida, Ken-Ichi; Qiu, Zhiyong; Bauer, Gerrit E W; Saitoh, Eiji

2016-11-11

Sharp structures in the magnetic field-dependent spin Seebeck effect (SSE) voltages of Pt/Y_{3}Fe_{5}O_{12} at low temperatures are attributed to the magnon-phonon interaction. Experimental results are well reproduced by a Boltzmann theory that includes magnetoelastic coupling. The SSE anomalies coincide with magnetic fields tuned to the threshold of magnon-polaron formation. The effect gives insight into the relative quality of the lattice and magnetization dynamics.

Double path integral method for obtaining the mobility of the one-dimensional charge transport in molecular chain.

Science.gov (United States)

Yoo-Kong, Sikarin; Liewrian, Watchara

2015-12-01

We report on a theoretical investigation concerning the polaronic effect on the transport properties of a charge carrier in a one-dimensional molecular chain. Our technique is based on the Feynman's path integral approach. Analytical expressions for the frequency-dependent mobility and effective mass of the carrier are obtained as functions of electron-phonon coupling. The result exhibits the crossover from a nearly free particle to a heavily trapped particle. We find that the mobility depends on temperature and decreases exponentially with increasing temperature at low temperature. It exhibits large polaronic-like behaviour in the case of weak electron-phonon coupling. These results agree with the phase transition (A.S. Mishchenko et al., Phys. Rev. Lett. 114, 146401 (2015)) of transport phenomena related to polaron motion in the molecular chain.

Multiphonon contribution to the polaron formation in cuprates with strong electron correlations and strong electron-phonon interaction

Science.gov (United States)

Ovchinnikov, Sergey G.; Makarov, Ilya A.; Kozlov, Peter A.

2017-03-01

In this work dependences of the electron band structure and spectral function in the HTSC cuprates on magnitude of electron-phonon interaction (EPI) and temperature are investigated. We use three-band p-d model with diagonal and offdiagonal EPI with breathing and buckling phonon mode in the frameworks of polaronic version of the generalized tight binding (GTB) method. The polaronic quasiparticle excitation in the system with EPI within this approach is formed by a hybridization of the local multiphonon Franck-Condon excitations with lower and upper Hubbard bands. Increasing EPI leads to transfer of spectral weight to high-energy multiphonon excitations and broadening of the spectral function. Temperature effects are taken into account by occupation numbers of local excited polaronic states and variations in the magnitude of spin-spin correlation functions. Increasing the temperature results in band structure reconstruction, spectral weight redistribution, broadening of the spectral function peak at the top of the valence band and the decreasing of the peak intensity. The effect of EPI with two phonon modes on the polaron spectral function is discussed.

Soliton and polaron generation in polyacetylene

International Nuclear Information System (INIS)

Su, Zhao-bin; Yu, Lu.

1984-07-01

The nonradiative decay of an e-h pair into soliton pair and that of an electron (hole) into polaron as well as the photoproduction of soliton pairs are considered using the lattice relaxation theory of multiphonon processes generalized to include the self-consistency of the multi-electron states with the lattice symmetry breaking. The selection rule which forbids the direct process of photogeneration for neutral pair is derived from the symmetry arguments. The branching ratio of the photogenerated neutral to charged soliton pairs is estimated. The recent related experiments are discussed. (author)

Polaron-Driven Surface Reconstructions

Directory of Open Access Journals (Sweden)

Michele Reticcioli

2017-09-01

Full Text Available Geometric and electronic surface reconstructions determine the physical and chemical properties of surfaces and, consequently, their functionality in applications. The reconstruction of a surface minimizes its surface free energy in otherwise thermodynamically unstable situations, typically caused by dangling bonds, lattice stress, or a divergent surface potential, and it is achieved by a cooperative modification of the atomic and electronic structure. Here, we combined first-principles calculations and surface techniques (scanning tunneling microscopy, non-contact atomic force microscopy, scanning tunneling spectroscopy to report that the repulsion between negatively charged polaronic quasiparticles, formed by the interaction between excess electrons and the lattice phonon field, plays a key role in surface reconstructions. As a paradigmatic example, we explain the (1×1 to (1×2 transition in rutile TiO_{2}(110.

Impact of morphology on polaron delocalization in a semicrystalline conjugated polymer

KAUST Repository

Steyrleuthner, Robert

2016-12-20

We investigate the delocalization of holes in the semicrystalline conjugated polymer poly(2,5-bis(3-alkylthiophene-2-yl)thieno[3,2-b]thiophene) (PBTTT) by directly measuring the hyperfine coupling between photogenerated polarons and bound nuclear spins using electron nuclear double resonance spectroscopy. An extrapolation of the corresponding oligomer spectra reveals that charges tend to delocalize over 4.0-4.8 nm with delocalization strongly dependent on molecular order and crystallinity of the PBTTT polymer thin films. Density functional theory calculations of hyperfine couplings confirm that long-range corrected functionals appropriately describe the change in coupling strength with increasing oligomer size and agree well with the experimentally measured polymer limit. Our discussion presents general guidelines illustrating the various pitfalls and opportunities when deducing polaron localization lengths from hyperfine coupling spectra of conjugated polymers.

Investigation on structural, magneto-transport, magnetic and thermal properties of La{sub 0.8}Ca{sub 0.2−x}Ba{sub x}MnO{sub 3} (0 ⩽ x ⩽ 0.2) manganites

Energy Technology Data Exchange (ETDEWEB)

Manjunatha, S.O. [Department of Physics, Manipal Institute of Technology, Manipal University, Manipal 576104 (India); Rao, Ashok, E-mail: ashokanu_rao@rediffmail.com [Department of Physics, Manipal Institute of Technology, Manipal University, Manipal 576104 (India); Subhashini [Material Processing Laboratory, Department of Physics, National Institute of Technology Karnataka, Surathkal 575025 (India); Okram, G.S. [UGC-DAE Consortium for Scientific Research, Khandwa Road, Indore 452 001, MP (India)

2015-08-15

Highlights: • Ba-doped compounds follow small polaron hopping model in high temperature range. • Ba-doping introduces structural phase transformation. • MR (%) decreases with Ba-doping, however T{sub MI} and T{sub C} increase with doping. • High temperature TEP data follows SPH model. • At low temperatures, electron–magnon scattering play role in thermal transport. - Abstract: A systematic study on the structural, electrical, magnetic and thermo-electric properties of La{sub 0.8}Ba{sub x}Ca{sub 0.2−x}MnO{sub 3} (0 ⩽ x ⩽ 0.2) manganites is carried out in the present work. The samples have been prepared using solid state reaction technique. All the samples are single phased. It is seen that Ba-doping introduces a structural phase transformation viz. from rhombohedral to cubic system. Electric and magnetic studies respectively show that the metal–insulator transition temperature, T{sub MI} and Curie temperature, T{sub C} increase with Ba-content. Magneto-resistance (MR) data shows that it decreases with Ba-doping. Analyses of the electrical transport data in metallic region i.e. T < T{sub MI} shows that the electrical transport is governed predominantly by electron–electron scattering process. On the other hand, the adiabatic small polaron hopping (ASPH) model is appropriate in the high-temperature insulating range viz. T > T{sub MI}. We have used the electrical resistivity data in the entire temperature range (50–300 K) and analyzed using the phenomenological percolation model which is based on the phase segregation mechanism. We have analyzed the Seebeck coefficient data which reveals that the small polaron hopping mechanism is operative in high temperature regime and the low temperature region is examined by taking into account the impurity, electron–magnon scattering, and spin wave fluctuation terms. It is established that the electron–magnon scattering is dominating for the thermoelectric transport below T{sub MI}.

Excitonic and Polaronic Properties of 2D Hybrid Organic–Inorganic Perovskites

KAUST Repository

Yin, Jun; Li, Hong; Cortecchia, Daniele; Soci, Cesare; Bredas, Jean-Luc

2017-01-01

calculations including corrections due to spin orbit couplings and electron hole interactions, a computationally intensive molecular cluster approach is exploited to describe the excitonic and polaronic properties of these 2D perovskites at the atomistic level

Impact of morphology on polaron delocalization in a semicrystalline conjugated polymer

KAUST Repository

Steyrleuthner, Robert; Zhang, Yuexing; Zhang, Lei; Kraffert, Felix; Cherniawski, Benjamin P.; Bittl, Robert; Briseno, Alejandro L.; Bredas, Jean-Luc; Behrends, Jan

2016-01-01

We investigate the delocalization of holes in the semicrystalline conjugated polymer poly(2,5-bis(3-alkylthiophene-2-yl)thieno[3,2-b]thiophene) (PBTTT) by directly measuring the hyperfine coupling between photogenerated polarons and bound nuclear

The role of hydrostatic pressure and temperature on bound polaron in semiconductor quantum dot

International Nuclear Information System (INIS)

El Moussaouy, A.; Ouchani, N.

2014-01-01

We studied theoretically the effects of hydrostatic pressure and temperature on the binding energy of shallow hydrogenic impurity in a cylindrical quantum dot (QD) using a variational approach within the effective mass approximation. The hydrostatic stress was applied along the QD growth axis. The interactions between the charge carriers and confined longitudinal optical (LO) phonon modes are taken into account. The numerical computation for GaAs/Ga 1−x Al x As QD has shown that the binding energy with and without the polaronic correction depends on the location of the impurity and the pressure effect and it is more pronounced for impurities in the QD center. Both the binding energy and the polaronic contribution increase linearly with increasing stress. For each pressure value, these energies are also found to decrease as the temperature increases. The results obtained show that in experimental studies of optical and electronic properties of QDs, the effects of pressure, temperature and polaronic correction on donor impurity binding energy should be taken into consideration

DFT +U Modeling of Hole Polarons in Organic Lead Halide Perovskites

Science.gov (United States)

Welch, Eric; Erhart, Paul; Scolfaro, Luisa; Zakhidov, Alex

Due to the ever present drive towards improved efficiencies in solar cell technology, new and improved materials are emerging rapidly. Organic halide perovskites are a promising prospect, yet a fundamental understanding of the organic perovskite structure and electronic properties is missing. Particularly, explanations of certain physical phenomena, specifically a low recombination rate and high mobility of charge carriers still remain controversial. We theoretically investigate possible formation of hole polarons adopting methodology used for oxide perovskites. The perovskite studied here is the ABX3structure, with A being an organic cation, B lead and C a halogen; the combinations studied allow for A1,xA2 , 1 - xBX1,xX2 , 3 - xwhere the alloy convention is used to show mixtures of the organic cations and/or the halogens. Two organic cations, methylammonium and formamidinium, and three halogens, iodine, chlorine and bromine are studied. Electronic structures and polaron behavior is studied through first principle density functional theory (DFT) calculations using the Vienna Ab Initio Simulation Package (VASP). Local density approximation (LDA) pseudopotentials are used and a +U Hubbard correction of 8 eV is added; this method was shown to work with oxide perovskites. It is shown that a localized state is realized with the Hubbard correction in systems with an electron removed, residing in the band gap of each different structure. Thus, hole polarons are expected to be seen in these perovskites.

Hall effect driven by non-collinear magnetic polarons in diluted magnetic semiconductors

Science.gov (United States)

Denisov, K. S.; Averkiev, N. S.

2018-04-01

In this letter, we develop the theory of Hall effect driven by non-collinear magnetic textures (topological Hall effect—THE) in diluted magnetic semiconductors (DMSs). We show that a carrier spin-orbit interaction induces a chiral magnetic ordering inside a bound magnetic polaron (BMP). The inner structure of non-collinear BMP is controlled by the type of spin-orbit coupling, allowing us to create skyrmion- (Rashba) or antiskyrmion-like (Dresselhaus) configurations. The asymmetric scattering of itinerant carriers on polarons leads to the Hall response which exists in weak external magnetic fields and at low temperatures. We point out that DMS-based systems allow one to investigate experimentally the dependence of THE both on a carrier spin polarization and on a non-collinear magnetic texture shape.

Peritoneal fluid transport in CAPD patients with different transport rates of small solutes.

Science.gov (United States)

Sobiecka, Danuta; Waniewski, Jacek; Weryński, Andrzej; Lindholm, Bengt

2004-01-01

Continuous ambulatory peritoneal dialysis (CAPD) patients with high peritoneal solute transport rate often have inadequate peritoneal fluid transport. It is not known whether this inadequate fluid transport is due solely to a too rapid fall of osmotic pressure, or if the decreased effectiveness of fluid transport is also a contributing factor. To analyze fluid transport parameters and the effectiveness of dialysis fluid osmotic pressure in the induction of fluid flow in CAPD patients with different small solute transport rates. 44 CAPD patients were placed in low (n = 6), low-average (n = 13), high-average (n = 19), and high (n = 6) transport groups according to a modified peritoneal equilibration test (PET). The study involved a 6-hour peritoneal dialysis dwell with 2 L 3.86% glucose dialysis fluid for each patient. Radioisotopically labeled serum albumin was added as a volume marker.The fluid transport parameters (osmotic conductance and fluid absorption rate) were estimated using three mathematical models of fluid transport: (1) Pyle model (model P), which describes ultrafiltration rate as an exponential function of time; (2) model OS, which is based on the linear relationship of ultrafiltration rate and overall osmolality gradient between dialysis fluid and blood; and (3) model G, which is based on the linear relationship between ultrafiltration rate and glucose concentration gradient between dialysis fluid and blood. Diffusive mass transport coefficients (K(BD)) for glucose, urea, creatinine, potassium, and sodium were estimated using the modified Babb-Randerson-Farrell model. The high transport group had significantly lower dialysate volume and glucose and osmolality gradients between dialysate and blood, but significantly higher K(BD) for small solutes compared with the other transport groups. Osmotic conductance, fluid absorption rate, and initial ultrafiltration rate did not differ among the transport groups for model OS and model P. Model G yielded

Effects of Polaron and Quantum Confinement on the Nonlinear Optical Properties in a GaAs/Ga1-xAlxAs Quantum Well Wire

Directory of Open Access Journals (Sweden)

L. Caroline Sugirtham

2014-01-01

Full Text Available The binding energy of a polaron confined in a GaAs/Ga1-xAlxAs quantum well wire is calculated within the framework of the variational technique and Lee-Low Pines approach. The polaron-induced photoionization cross section as a function of normalized photon energy for a on-centre donor impurity in the quantum wire is investigated. The oscillator strength with the geometrical effect is studied taking into account the polaron effects in a GaAs/Ga0.8Al0.2As quantum well wire. The effect of polaron on the third-order susceptibility of third harmonic generation is studied. Our theoretical results are shown to be in good agreement with previous investigations.

Free water transport, small pore transport and the osmotic pressure gradient

NARCIS (Netherlands)

Parikova, Alena; Smit, Watske; Zweers, Machteld M.; Struijk, Dirk G.; Krediet, Raymond T.

2008-01-01

BACKGROUND: Water transport in peritoneal dialysis (PD) patients occurs through the small pores and water channels, the latter allowing free water transport (FWT). The osmotic gradient is known to be one of the major determinants of water transport. The objective of the study was to analyse the

Fingerprints of spin-orbital polarons and of their disorder in the photoemission spectra of doped Mott insulators with orbital degeneracy

Science.gov (United States)

Avella, Adolfo; Oleś, Andrzej M.; Horsch, Peter

2018-04-01

We explore the effects of disordered charged defects on the electronic excitations observed in the photoemission spectra of doped transition metal oxides in the Mott insulating regime by the example of the R1 -xCaxVO3 perovskites, where R = La, ⋯, Lu. A fundamental characteristic of these vanadium d2 compounds with partly filled t2 g valence orbitals is the persistence of spin and orbital order up to high doping, in contrast to the loss of magnetic order in high-Tc cuprates at low defect concentration. We study the disordered electronic structure of such doped Mott-Hubbard insulators within the unrestricted Hartree-Fock approximation and, as a result, manage to explain the spectral features that occur in photoemission and inverse photoemission. In particular, (i) the atomic multiplet excitations in the inverse photoemission spectra and the various defect-related states and satellites are qualitatively well reproduced, (ii) a robust Mott gap survives up to large doping, and (iii) we show that the defect states inside the Mott gap develop a soft gap at the Fermi energy. The soft defect-states gap, which separates the highest occupied from the lowest unoccupied states, can be characterized by a shape and a scale parameter extracted from a Weibull statistical sampling of the density of states near the chemical potential. These parameters provide a criterion and a comprehensive schematization for the insulator-metal transition in disordered systems. Our results provide clear indications that doped holes are bound to charged defects and form small spin-orbital polarons whose internal kinetic energy is responsible for the opening of the soft defect-states gap. We show that this kinetic gap survives disorder fluctuations of defects and is amplified by the long-range electron-electron interactions, whereas we observe a Coulomb singularity in the atomic limit. The small size of spin-orbital polarons is inferred by an analysis of the inverse participation ratio and by

Theory of super-para-electric large polaron for gigantic photo-enhancements of dielectric constant and electronic conductivity in SrTiO3

International Nuclear Information System (INIS)

Yu Qiu; Nasu, Keiichiro

2005-01-01

In connection with the recent experimental discoveries on gigantic photoenhancements of the electronic conductivity and the quasi-static dielectric susceptibility in SrTiO 3 , we theoretically study a photo-generation mechanism of a charged ferroelectric domain in this quantum dielectric. The photo-generated electron, being quite itinerant in the 3d band of Ti 4+ , is assumed to couple weakly but quadratically with soft-anharmonic T 1u phonons in this quantum dielectric. The photo-generated electron is also assumed to couple strongly but linearly with the breathing type high energy phonons. Using a tight binding model for electron, we will show that these two types of electron-phonon couplings result in two types of polarons, a 'super-para-electric (SPE) large polaron' with a quasi-global parity violation, and an 'off-centre type self-trapped polaron' with only a local parity violation. We will also show that this SPE large polaron is nothing else but a singly charged (e - ) and conductive ferroelectric (or SPE) domain with a quasi macroscopic size. This polaron or domain is also shown to have a high mobility and a large quasi-static dielectric susceptibility

Transport-entropy correlations in La0.7Ca0.3MnO3 manganite

International Nuclear Information System (INIS)

Debnath, J.C.; Strydom, A.M.

2014-01-01

An investigation of the magnetic entropy change ΔS M and resistivity ρ, and the relation between them, for La 0.7 Ca 0.3 MnO 3 (LCMO) material has been presented. By using an equation of the form ΔS M =−α∫ 0 H [(δln(ρ))/(δT) ] H dH (α=9.98 emu/g), which relates magnetic order to transport behavior of the compounds, we measure the magnetic entropy change ΔS M from the resistivity measurement, where the resistivity results agree quite well with the fitting parameter α=9.98 emu/g in the intermediate temperature range. This result reveals the predominant role of magnetic polarons on the magnetoresistive property of manganites. It is obvious that magnetic disorder, characterized by ΔS M , affects the magnetic polarons, while the magnetic polarons influence the electronic transport properties, which may be the underlying reason for a salient ΔS M −ρ relation. It also provides an alternative method to determine magnetic entropy change on the basis of resistive measurements

Non-relativistic Limit of a Dirac Polaron in Relativistic Quantum Electrodynamics

CERN Document Server

Arai, A

2006-01-01

A quantum system of a Dirac particle interacting with the quantum radiation field is considered in the case where no external potentials exist. Then the total momentum of the system is conserved and the total Hamiltonian is unitarily equivalent to the direct integral $\\int_{{\\bf R}^3}^\\oplus\\overline{H({\\bf p})}d{\\bf p}$ of a family of self-adjoint operators $\\overline{H({\\bf p})}$ acting in the Hilbert space $\\oplus^4{\\cal F}_{\\rm rad}$, where ${\\cal F}_{\\rm rad}$ is the Hilbert space of the quantum radiation field. The fibre operator $\\overline{H({\\bf p})}$ is called the Hamiltonian of the Dirac polaron with total momentum ${\\bf p} \\in {\\bf R}^3$. The main result of this paper is concerned with the non-relativistic (scaling) limit of $\\overline{H({\\bf p})}$. It is proven that the non-relativistic limit of $\\overline{H({\\bf p})}$ yields a self-adjoint extension of a Hamiltonian of a polaron with spin $1/2$ in non-relativistic quantum electrodynamics.

Polaron effects on nonlinear optical rectification in asymmetrical Gaussian potential quantum wells with applied electric fields

International Nuclear Information System (INIS)

Wu, Jinghe; Guo, Kangxian; Liu, Guanghui

2014-01-01

Polaron effects on nonlinear optical rectification in asymmetrical Gaussian potential quantum wells are studied by the effective mass approximation and the perturbation theory. The numerical results show that nonlinear optical rectification coefficients are strongly dependent on the barrier hight V 0 of the Gaussian potential quantum wells, the range L of the confinement potential and the electric field F. Besides, the numerical results show that no matter how V 0 , L and F change, taking into consideration polaron effects, the optical rectification coefficients χ 0 (2) get greatly enhanced.

Shallow trapping vs. deep polarons in a hybrid lead halide perovskite, CH3NH3PbI3.

Science.gov (United States)

Kang, Byungkyun; Biswas, Koushik

2017-10-18

There has been considerable speculation over the nature of charge carriers in organic-inorganic hybrid perovskites, i.e., whether they are free and band-like, or they are prone to self-trapping via short range deformation potentials. Unusually long minority-carrier diffusion lengths and moderate-to-low mobilities, together with relatively few deep defects add to their intrigue. Here we implement density functional methods to investigate the room-temperature, tetragonal phase of CH 3 NH 3 PbI 3 . We compare charge localization behavior at shallow levels and associated lattice relaxation versus those at deep polaronic states. The shallow level originates from screened Coulomb interaction between the perturbed host and an excited electron or hole. The host lattice has a tendency towards forming these shallow traps where the electron or hole is localized not too far from the band edge. In contrast, there is a considerable potential barrier that must be overcome in order to initiate polaronic hole trapping. The formation of a hole polaron (I 2 - center) involves strong lattice relaxation, including large off-center displacement of the organic cation, CH 3 NH 3 + . This type of deep polaron is energetically unfavorable, and active shallow traps are expected to shape the carrier dynamics in this material.

Synthesis, transport and dielectric properties of polyaniline/Co3O4 ...

Indian Academy of Sciences (India)

TECS

Synthesis, transport and dielectric properties of polyaniline/Co3O4 composites ... Initial increment in conductivity is due to extended chain length of polyaniline where polarons possess .... Figure 3 displays the scanning electron micrograph of.

Decay of Polarons and Molecules in a Strongly Polarized Fermi Gas

DEFF Research Database (Denmark)

Bruun, Georg; Massignan, P.

2010-01-01

, and that it vanishes much faster than the energy difference between the two states, thereby confirming the first order nature of the polaron-molecule transition. In the regime where each state is metastable, we find quasiparticle lifetimes which are much longer than what is expected for a usual Fermi liquid. Our...

Comparative analysis of magnetic resonance in the polaron pair recombination and the triplet exciton-polaron quenching models

Science.gov (United States)

Mkhitaryan, V. V.; Danilović, D.; Hippola, C.; Raikh, M. E.; Shinar, J.

2018-01-01

We present a comparative theoretical study of magnetic resonance within the polaron pair recombination (PPR) and the triplet exciton-polaron quenching (TPQ) models. Both models have been invoked to interpret the photoluminescence detected magnetic resonance (PLDMR) results in π -conjugated materials and devices. We show that resonance line shapes calculated within the two models differ dramatically in several regards. First, in the PPR model, the line shape exhibits unusual behavior upon increasing the microwave power: it evolves from fully positive at weak power to fully negative at strong power. In contrast, in the TPQ model, the PLDMR is completely positive, showing a monotonic saturation. Second, the two models predict different dependencies of the resonance signal on the photoexcitation power, PL. At low PL, the resonance amplitude Δ I /I is ∝PL within the PPR model, while it is ∝PL2 crossing over to PL3 within the TPQ model. On the physical level, the differences stem from different underlying spin dynamics. Most prominently, a negative resonance within the PPR model has its origin in the microwave-induced spin-Dicke effect, leading to the resonant quenching of photoluminescence. The spin-Dicke effect results from the spin-selective recombination, leading to a highly correlated precession of the on-resonance pair partners under the strong microwave power. This effect is not relevant for TPQ mechanism, where the strong zero-field splitting renders the majority of triplets off resonance. On the technical level, the analytical evaluation of the line shapes for the two models is enabled by the fact that these shapes can be expressed via the eigenvalues of a complex Hamiltonian. This bypasses the necessity of solving the much larger complex linear system of the stochastic Liouville equations. Our findings pave the way towards a reliable discrimination between the two mechanisms via cw PLDMR.

Influence of Mg doping on the behaviour of polaronic light-induced absorption in LiNbO3

International Nuclear Information System (INIS)

Conradi, D.; Merschjann, C.; Schoke, B.; Imlau, M.; Corradi, G.; Polgar, K.

2008-01-01

Transient light-induced absorption changes α li (t), caused by optically generated small polarons, are investigated in LiNbO 3 :Mg below and above the optical-damage-resistance threshold (ODRT). The lifetime of α li (t) is reduced by three orders of magnitude above the ODRT while a significantly enhanced amplitude α max li is observed in the infrared. Our observations are in full accordance with the predictions of microscopic models for the ODRT, namely the removal of Nb Li antisite defects upon incorporation of Mg ions, and an enhanced dark conductivity. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (Abstract Copyright [2008], Wiley Periodicals, Inc.)

Simulations of charge transport in organic compounds

Energy Technology Data Exchange (ETDEWEB)

Vehoff, Thorsten

2010-05-05

We study the charge transport properties of organic liquid crystals, i.e. hexabenzocoronene and carbazole macrocycle, and single crystals, i.e. rubrene, indolocarbazole and benzothiophene derivatives (BTBT, BBBT). The aim is to find structure-property relationships linking the chemical structure as well as the morphology with the bulk charge carrier mobility of the compounds. To this end, molecular dynamics (MD) simulations are performed yielding realistic equilibrated morphologies. Partial charges and molecular orbitals are calculated based on single molecules in vacuum using quantum chemical methods. The molecular orbitals are then mapped onto the molecular positions and orientations, which allows calculation of the transfer integrals between nearest neighbors using the molecular orbital overlap method. Thus we obtain realistic transfer integral distributions and their autocorrelations. In case of organic crystals the differences between two descriptions of charge transport, namely semi-classical dynamics (SCD) in the small polaron limit and kinetic Monte Carlo (KMC) based on Marcus rates, are studied. The liquid crystals are investigated solely in the hopping limit. To simulate the charge dynamics using KMC, the centers of mass of the molecules are mapped onto lattice sites and the transfer integrals are used to compute the hopping rates. In the small polaron limit, where the electronic wave function is spread over a limited number of neighboring molecules, the Schroedinger equation is solved numerically using a semi-classical approach. The carbazole macrocycles form columnar structures arranged on a hexagonal lattice with side chains facing inwards, so columns can closely approach each other allowing inter-columnar and thus three-dimensional transport. We are able to show that, on the time-scales of charge transport, static disorder due to slow side chain motions is the main factor determining the mobility. The high mobility of rubrene is explained by two main

Vibronic effects and destruction of exciton coherence in optical spectra of J-aggregates: A variational polaron transformation approach

Energy Technology Data Exchange (ETDEWEB)

Bloemsma, E.A.; Silvis, M.H.; Stradomska, A.; Knoester, J., E-mail: j.knoester@rug.nl

2016-12-20

Using a symmetry adapted polaron transformation of the Holstein Hamiltonian, we study the interplay of electronic excitation-vibration couplings, resonance excitation transfer interactions, and temperature in the linear absorption spectra of molecular J-aggregates. Semi-analytical expressions for the spectra are derived and compared with results obtained from direct numerical diagonalization of the Hamiltonian in the two-particle basis set representation. At zero temperature, we show that our polaron transformation reproduces both the collective (exciton) and single-molecule (vibrational) optical response associated with the appropriate standard perturbation limits. Specifically, for the molecular dimer excellent agreement with the spectra from the two-particle approach for the entire range of model parameters is obtained. This is in marked contrast to commonly used polaron transformations. Upon increasing the temperature, the spectra show a transition from the collective to the individual molecular features, which results from the thermal destruction of the exciton coherence.

Phonon-affected steady-state transport through molecular quantum dots

Czech Academy of Sciences Publication Activity Database

Koch, T.; Fehske, H.; Loos, Jan

T151, č. 1 (2012), 1-10 ISSN 0031-8949 Institutional research plan: CEZ:AV0Z10100521 Keywords : the ory of electron ic transport * scattering mechanisms * polarons and electron -phonon interactions Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.032, year: 2012

Density functional theory + U modeling of polarons in organohalide lead perovskites

Directory of Open Access Journals (Sweden)

Eric Welch

2016-12-01

Full Text Available We investigate the possible formation of polarons in four organic perovskites (CH3NH3PbI3, CH3NH3PbBr3, CH3NH3PbCl3, and CH3NH3PbI2Cl1 using a density functional theory (DFT calculations with local potentials and hybrid functionals. We show that DFT+U method with U = 8 eV predicts a correct band-gap and matches the forces on ions from hybrid calculations. We then use the DFT + U approach to study the effect of polarons, i.e. to search the configuration space and locate the lowest energy localized band gap state self-trapped hole (STH. STH configurations were found for three pure halides and one mixed halide system. Spin orbit coupling (SOC was also taken into account and the results may be found in the supplementary material. This study focuses on the +U method; however, SOC corrections added to the DFT+U calculations also resulted in STH states in all four systems.

Two Impurities in a Bose-Einstein Condensate: From Yukawa to Efimov Attracted Polarons

Science.gov (United States)

Naidon, Pascal

2018-04-01

The well-known Yukawa and Efimov potentials are two different mediated interaction potentials. The first one arises in quantum field theory from the exchange of virtual particles. The second one is mediated by a real particle resonantly interacting with two other particles. This Letter shows how two impurities immersed in a Bose-Einstein condensate can exhibit both phenomena. For a weak attraction with the condensate, the two impurities form two polarons that interact through a weak Yukawa attraction mediated by virtual excitations. For a resonant attraction with the condensate, the exchanged excitation becomes a real boson and the mediated interaction changes to a strong Efimov attraction that can bind the two polarons. The resulting bipolarons turn into in-medium Efimov trimers made of the two impurities and one boson. Evidence of this physics could be seen in ultracold mixtures of atoms.

Singlet and triplet polaron relaxation in doubly charged self-assembled quantum dots

International Nuclear Information System (INIS)

Grange, T; Zibik, E A; Ferreira, R; Bastard, G; Carpenter, B A; Phillips, P J; Stehr, D; Winnerl, S; Helm, M; Steer, M J; Hopkinson, M; Cockburn, J W; Skolnick, M S; Wilson, L R

2007-01-01

Polaron relaxation in self-assembled InAs/GaAs quantum dot samples containing 2 electrons per dot is studied using far-infrared, time-resolved pump-probe measurements for transitions between the s-like ground and p-like first excited conduction band states. Spin-flip transitions between singlet and triplet states are observed experimentally in the decay of the absorption bleaching, which shows a clear biexponential dependence. The initial fast decay (∼30 ps) is associated with the singlet polaron decay, while the decay component with the longer time constant (∼5 ns) corresponds to the excited state triplet lifetime. The results are explained by considering the intrinsic Dresselhaus spin-orbit interaction, which induces spin-flip transitions by acoustic phonon emission or phonon anharmonicity. We have calculated the spin-flip decay times, and good agreement is obtained between the experiment and the simulation of the pump-probe signal. Our results demonstrate the importance of spin-mixing effects for intraband energy relaxation in InAs/GaAs quantum dots

Madelung and Hubbard interactions in polaron band model of doped organic semiconductors

Science.gov (United States)

Png, Rui-Qi; Ang, Mervin C.Y.; Teo, Meng-How; Choo, Kim-Kian; Tang, Cindy Guanyu; Belaineh, Dagmawi; Chua, Lay-Lay; Ho, Peter K.H.

2016-01-01

The standard polaron band model of doped organic semiconductors predicts that density-of-states shift into the π–π* gap to give a partially filled polaron band that pins the Fermi level. This picture neglects both Madelung and Hubbard interactions. Here we show using ultrahigh workfunction hole-doped model triarylamine–fluorene copolymers that Hubbard interaction strongly splits the singly-occupied molecular orbital from its empty counterpart, while Madelung (Coulomb) interactions with counter-anions and other carriers markedly shift energies of the frontier orbitals. These interactions lower the singly-occupied molecular orbital band below the valence band edge and give rise to an empty low-lying counterpart band. The Fermi level, and hence workfunction, is determined by conjunction of the bottom edge of this empty band and the top edge of the valence band. Calculations are consistent with the observed Fermi-level downshift with counter-anion size and the observed dependence of workfunction on doping level in the strongly doped regime. PMID:27582355

Intrinsic Charge Transport in Organic Field-Effect Transistors

Science.gov (United States)

Podzorov, Vitaly

2005-03-01

Organic field-effect transistors (OFETs) are essential components of modern electronics. Despite the rapid progress of organic electronics, understanding of fundamental aspects of the charge transport in organic devices is still lacking. Recently, the OFETs based on highly ordered organic crystals have been fabricated with innovative techniques that preserve the high quality of single-crystal organic surfaces. This technological progress facilitated the study of transport mechanisms in organic semiconductors [1-4]. It has been demonstrated that the intrinsic polaronic transport, not dominated by disorder, with a remarkably high mobility of ``holes'' μ = 20 cm^2/Vs can be achieved in these devices at room temperature [4]. The signatures of the intrinsic polaronic transport are the anisotropy of the carrier mobility and an increase of μ with cooling. These and other aspects of the charge transport in organic single-crystal FETs will be discussed. Co-authors are Etienne Menard, University of Illinois at Urbana Champaign; Valery Kiryukhin, Rutgers University; John Rogers, University of Illinois at Urbana Champaign; Michael Gershenson, Rutgers University. [1] V. Podzorov et al., Appl. Phys. Lett. 82, 1739 (2003); ibid. 83, 3504 (2003). [2] V. C. Sundar et al., Science 303, 1644 (2004). [3] R. W. I. de Boer et al., Phys. Stat. Sol. (a) 201, 1302 (2004). [4] V. Podzorov et al., Phys. Rev. Lett. 93, 086602 (2004).

Charge and energy transports via poly-phenylacetylene based dendrimers

Science.gov (United States)

Shin, Yongwoo; Li, Minghai; Lin, Xi

2010-03-01

Poly-Phenylacetylene (PPA) is widely used in photoconductivity, photoluminescence, and light harvesting applications. In this work, we investigate the charge and exciton transport energetics and mechanisms in the PPA-based dendrimers using our recently developed adapted Su-Schrieffer-Heeger (SSH) model Hamiltonians and ab initio Hartree-Fock (HF) calculations. We found both doping and photo-excitation lead to the formation of optical phonon dressed pi electron states, namely the self-localized polarons, in the energy gap. Independent from their origins, these polarons can be self-trapped at multiple lattice locations along the PPA chain, and migrate from one to the next with an activation barrier of ˜0.006 eV, slightly higher than the corresponding barrier found in trans-polyacetylene. The PPA-based dendrimers can be constructed via the meta-positions of phenyl rings. In this case, we found the dendrimer junctions form attractive potential wells for both polarons and excitons, and the width and height of these junction potential wells can be controlled by the geometry of the dendrimers.

Quantitative measurements of magnetic polaron binding on acceptors in CdMnTe alloys

Science.gov (United States)

Nhung, Tran Hong; Planel, R.

1983-03-01

The acceptor binding energy is measured as a function of Temperature and composition in Cd1-x Mnx Te alloys, by time resolved spectroscopy. The Bound magnetic polaron effect is measured and compared with a theory accouting for magnetic saturation and fluctuations.

Nonequilibrium transport through molecular junctions in the quantum regime

Czech Academy of Sciences Publication Activity Database

Koch, T.; Loos, Jan; Alvermann, A.; Fehske, H.

2011-01-01

Roč. 84, č. 12 (2011), 125131/1-125131/16 ISSN 1098-0121 Institutional research plan: CEZ:AV0Z10100521 Keywords : the ory of electron ic transport * scattering mechanisms * polarons and electron -phonon interactions * quantum dots Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.691, year: 2011

Polaronic and bipolaronic structures in the adiabatic Hubbard-Holstein model involving 2 electrons and its extensions

International Nuclear Information System (INIS)

Proville, L.

1998-01-01

This thesis brings its contribution to the bipolaronic theory which might explain the origin of superconductivity at high temperature. A polaron is a quasiparticle made up of a localized electron and a deformation in the crystal structure. 2 electrons in singlet states localized on the same site form a bipolaron. Whenever the Coulomb repulsion between the 2 electrons is too strong bipolaron turns into 2 no bound polarons. We study the existence and the mobility of bipolarons. We describe the electron-phonon interaction by the Holstein term and the Coulomb repulsion by the Hubbard term. 2 assumptions are made: - the local electron-phonon interaction is strong and opposes the Coulomb repulsion between Hubbard type electrons - the system is close to the adiabatic limit. The system is reduced to 2 electrons in order to allow an exact treatment and the investigation of some bipolaronic bound states. At 2-dimensions the existence of bipolarons requires a very strong coupling which forbids any classical mobility. In some cases an important tunneling effect appears and we show that mobile bipolarons exist in a particular parameter range. Near the adiabatic limit we prove that polaronic and bipolaronic structures exist for a great number of electrons. (A.C.)

Generalized formula for electron emission taking account of the polaron effect

Science.gov (United States)

Barengolts, Yu A.; Beril, S. I.; Barengolts, S. A.

2018-01-01

A generalized formula is derived for the electron emission current as a function of temperature, field, and electron work function in a metal-dielectric system that takes account of the quantum nature of the image forces. In deriving the formula, the Fermi-Dirac distribution for electrons in a metal and the quantum potential of the image obtained in the context of electron polaron theory are used.

Parton Theory of Magnetic Polarons: Mesonic Resonances and Signatures in Dynamics

Science.gov (United States)

Grusdt, F.; Kánasz-Nagy, M.; Bohrdt, A.; Chiu, C. S.; Ji, G.; Greiner, M.; Greif, D.; Demler, E.

2018-01-01

When a mobile hole is moving in an antiferromagnet it distorts the surrounding Néel order and forms a magnetic polaron. Such interplay between hole motion and antiferromagnetism is believed to be at the heart of high-temperature superconductivity in cuprates. In this article, we study a single hole described by the t -Jz model with Ising interactions between the spins in two dimensions. This situation can be experimentally realized in quantum gas microscopes with Mott insulators of Rydberg-dressed bosons or fermions, or using polar molecules. We work at strong couplings, where hole hopping is much larger than couplings between the spins. In this regime we find strong theoretical evidence that magnetic polarons can be understood as bound states of two partons, a spinon and a holon carrying spin and charge quantum numbers, respectively. Starting from first principles, we introduce a microscopic parton description which is benchmarked by comparison with results from advanced numerical simulations. Using this parton theory, we predict a series of excited states that are invisible in the spectral function and correspond to rotational excitations of the spinon-holon pair. This is reminiscent of mesonic resonances observed in high-energy physics, which can be understood as rotating quark-antiquark pairs carrying orbital angular momentum. Moreover, we apply the strong-coupling parton theory to study far-from-equilibrium dynamics of magnetic polarons observable in current experiments with ultracold atoms. Our work supports earlier ideas that partons in a confining phase of matter represent a useful paradigm in condensed-matter physics and in the context of high-temperature superconductivity in particular. While direct observations of spinons and holons in real space are impossible in traditional solid-state experiments, quantum gas microscopes provide a new experimental toolbox. We show that, using this platform, direct observations of partons in and out of equilibrium are

Second order approximation for optical polaron in the strong coupling case

International Nuclear Information System (INIS)

Bogolubov, N.N. Jr.

1993-11-01

Here we propose a method of construction second order approximation for ground state energy for class of model Hamiltonian with linear type interaction on Bose operators in strong coupling case. For the application of the above method we have considered polaron model and propose construction set of nonlinear differential equations for definition ground state energy in strong coupling case. We have considered also radial symmetry case. (author). 10 refs

DFT+U study of self-trapping, trapping, and mobility of oxygen-type hole polarons in barium stannate

Science.gov (United States)

Geneste, Grégory; Amadon, Bernard; Torrent, Marc; Dezanneau, Guilhem

2017-10-01

The charge-transfer insulating perovskite oxides currently used as fuel cell electrolytes undergo, at high temperature, an oxidation reaction 1/2 O2(g ) +VO••→OOX+2 h• , that produces oxygen-type holes. Understanding the nature and mobility of these oxygen-type holes is an important step to improve the performance of devices, but presents a theoretical challenge since, in their localized form, they cannot be captured by standard density functional theory. Here, we employ the DFT+U formalism with a Hubbard correction on the p orbitals of oxygen to investigate several properties of these holes, in the particular case of BaSnO3. We describe the small oxygen-type hole polarons, the self-trapping at their origin, and their trapping by trivalent dopants (Ga, Sc, In, Lu, Y, Gd, La). Strong similarities with protonic defects are observed concerning the evolution of the trapping energy with ionic radius of the dopant. Moreover, we show that long-range diffusion of holes is a complex phenomenon, that proceeds by a succession of several mechanisms. However, the standard implementation of DFT+U within the projector augmented-wave (PAW) formalism leads to use very large, unphysical values of U for the O-p orbital. We propose here a slightly modified DFT+U scheme, that takes into account the fact that the O-p is truncated in usual DFT+U implementation in PAW. This scheme yields more physical values of U than the ones traditionally used in the literature, and describes well the properties of the hole polaron.

Electronic contributions to the transport properties and specific heat of solid UO2: an empirical, self-consistent analysis

International Nuclear Information System (INIS)

Hyland, G.J.; Ralph, J.

1982-07-01

From an empirical, self-consistent analysis of new high temperature data on the thermo-electric Seebeck coefficient and d.c. electrical conductivity, the value of the free energy controlling the equilibrium of the thermally induced reaction, 2U 4+ reversible U 3+ + U 5+ is determined (treating the U 3+ and U 5+ as small polarons) and used to calculate the contribution of the process to the high temperature thermal conductivity and specific heat of UO 2 . It is found that the transport properties can be completely accounted for in this way, but not the anomalous rise in specific heat - the origin of which remains obscure. (U.K.)

Observation of magnetic polarons in the magnetoresistive pyrochlore Lu2V2O7

International Nuclear Information System (INIS)

Storchak, Vyacheslav G; Brewer, Jess H; Eshchenko, Dmitry G; Mengyan, Patrick W; Zhou Haidong; Wiebe, Christopher R

2013-01-01

Materials that exhibit colossal magnetoresistance (CMR) have attracted much attention due to their potential technological applications. One particularly interesting model for the magnetoresistance of low-carrier-density ferromagnets involves mediation by magnetic polarons (MP)—electrons localized in nanoscale ferromagnetic ‘droplets’ by their exchange interaction. However, MP have not previously been directly detected and their size has been difficult to determine from macroscopic measurements. In order to provide this crucial information, we have carried out muon spin rotation measurements on the magnetoresistive semiconductor Lu 2 V 2 O 7 in the temperature range from 2 to 300 K and in magnetic fields up to 7 T. Magnetic polarons with characteristic radius R ≈ 0.4 nm are detected below about 100 K, where Lu 2 V 2 O 7 exhibits CMR; at higher temperature, where the magnetoresistance vanishes, these MP also disappear. This observation confirms the MP-mediated model of CMR and reveals the microscopic size of the MP in magnetoresistive pyrochlores. (paper)

Quantum fluctuations of D5d polarons on C60 molecules

International Nuclear Information System (INIS)

Wang Chui-Lin; Wang Wenzheng; Liu Yuliang; Su Zhaobin; Yu Lu.

1994-06-01

The dynamic Jahn-Teller splitting of the six equivalent D 5d polarons due to quantum fluctuations is studied in the framework of the Bogoliubov-de Gennes formalism. The tunneling induced level splittings are determined to be 2 T 1u + 2 T 2u and 1 A g + 1 H g for C 1- 60 and C -2 60 , respectively, which should give rise to observable effects in experiments. (author). 17 refs, 2 tabs

Semiclassical and quantum polarons in crystalline acetanilide

Science.gov (United States)

Hamm, P.; Tsironis, G. P.

2007-08-01

Crystalline acetanilide is a an organic solid with peptide bond structure similar to that of proteins. Two states appear in the amide I spectral region having drastically different properties: one is strongly temperature dependent and disappears at high temperatures while the other is stable at all temperatures. Experimental and theoretical work over the past twenty five years has assigned the former to a selftrapped state while the latter to an extended free exciton state. In this article we review the experimental and theoretical developments on acetanilide paying particular attention to issues that are still pending. Although the interpretation of the states is experimentally sound, we find that specific theoretical comprehension is still lacking. Among the issues that that appear not well understood is the effective dimensionality of the selftrapped polaron and free exciton states.

Anisotropic transport in the quasi-one-dimensional semiconductor Li{sub 0.33}MoO{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Moshfeghyeganeh, S.; Cote, A. N.; Cohn, J. L., E-mail: cohn@physics.miami.edu [Department of Physics, University of Miami, Coral Gables, Florida 33124 (United States); Neumeier, J. J. [Department of Physics, Montana State University, Bozeman, Montana 59717 (United States)

2016-03-07

Transport measurements (electrical resistivity, Seebeck coefficient, and thermal conductivity) in the temperature range 80–500 K are presented for single crystals of the quasi-one-dimensional (Q1D) semiconductor Li{sub 0.33}MoO{sub 3}. Opposite signs are observed for the Seebeck coefficient along the trinclinic a and c axes, with S{sub c} − S{sub a} ≃ 250 μV/K near room temperature and ≃100 μV/K at 380 K. The thermal conductivity at room temperature in the a-c planes was ∼2 W/m K and ∼10 times smaller along b*. A weak structural anomaly at T{sub s} ≈ 355 K, identified in the temperature-dependent lattice constants, coincides with anomalies in the electrical properties. Analysis of the electronic transport at T > T{sub s} favors an intrinsic semiconductor picture for transport along the most conducting Q1D axis and small-polaronic transport along the other directions, providing insight into the origin of the Seebeck anisotropy.

Effects of hole self-trapping by polarons on transport and negative bias illumination stress in amorphous-IGZO

Science.gov (United States)

de Jamblinne de Meux, A.; Pourtois, G.; Genoe, J.; Heremans, P.

2018-04-01

The effects of hole injection in amorphous indium-gallium-zinc-oxide (a-IGZO) are analyzed by means of first-principles calculations. The injection of holes in the valence band tail states leads to their capture as a polaron, with high self-trapping energies (from 0.44 to 1.15 eV). Once formed, they mediate the formation of peroxides and remain localized close to the hole injection source due to the presence of a large diffusion energy barrier (of at least 0.6 eV). Their diffusion mechanism can be mediated by the presence of hydrogen. The capture of these holes is correlated with the low off-current observed for a-IGZO transistors, as well as with the difficulty to obtain a p-type conductivity. The results further support the formation of peroxides as being the root cause of Negative Bias Illumination Stress (NBIS). The strong self-trapping substantially reduces the injection of holes from the contact and limits the creation of peroxides from a direct hole injection. In the presence of light, the concentration of holes substantially rises and mediates the creation of peroxides, responsible for NBIS.

14 CFR 135.397 - Small transport category airplane performance operating limitations.

Science.gov (United States)

2010-01-01

... 14 Aeronautics and Space 3 2010-01-01 2010-01-01 false Small transport category airplane... PERSONS ON BOARD SUCH AIRCRAFT Airplane Performance Operating Limitations § 135.397 Small transport category airplane performance operating limitations. (a) No person may operate a reciprocating engine...

Repulsive polarons and itinerant ferromagnetism in strongly polarized Fermi gases

DEFF Research Database (Denmark)

Massignan, Pietro; Bruun, Georg

2011-01-01

We analyze the properties of a single impurity immersed in a Fermi sea. At positive energy and scattering lengths, we show that the system possesses a well-defined but metastable excitation, the repulsive polaron, and we calculate its energy, quasiparticle residue and effective mass. From...... polarized (ferromagnetic) domains are then examined for a binary mixture of atoms with a general mass ratio. Our results indicate that mass imbalance lowers the critical interaction strength for phase-separation, but that very short quasiparticle decay times will complicate the experimental observation...

76 FR 27935 - Small Business Size Standards: Transportation and Warehousing

Science.gov (United States)

2011-05-13

... assistance, SBA establishes small business definitions (referred to as size standards) for private sector... SMALL BUSINESS ADMINISTRATION 13 CFR Part 121 RIN 3245-AG08 Small Business Size Standards: Transportation and Warehousing AGENCY: U.S. Small Business Administration. ACTION: Proposed rule. SUMMARY: The U...

Study of spin-polaron formation in 1D systems

International Nuclear Information System (INIS)

Arredondo, Y.; Navarro, O.; Vallejo, E.

2014-01-01

We study numerically the formation of spin-polarons in low-dimensional systems. We consider a ferromagnetic Kondo lattice model with Hund coupling J H and localized spins interacting antiferromagnetically with coupling constant J. We investigate the ground state phase diagram as a function of the exchange couplings J H and J and as a function of the band filling, since it has been observed that doping either on the ferromagnetic or antiferromagnetic regime lead to formation of magnetic domains [1]. We explore the quasi-particle formation and phase separation using the density-matrix renormalization group method, which is a highly efficient method to investigate quasi-one-dimensional strongly correlated systems

Effect of thermodynamic fluctuations of magnetization on the bound magnetic polaron state in ferromagnetic semiconductors

International Nuclear Information System (INIS)

Bednarski, Henryk; Spałek, Józef

2014-01-01

We extend the theory of the bound magnetic polaron (BMP) in diluted paramagnetic semiconductors to the situation with a ferromagnetic phase transition. This is achieved by including the classical Gaussian fluctuations of magnetization from the quartic (non-Gaussian) term in the effective Ginzburg–Landau Hamiltonian for the spins. Within this approach, we find a ferromagnetically ordered state within the BMP in the temperature range well above the Curie temperature for the host magnetic semiconductor. Numerical results are compared directly with the recently available experimental data for the ferromagnetic semiconductor GdN. The agreement is excellent, given the simplicity of our model, and is because the polaron size (≃1.4 nm) encompasses a relatively large but finite number (N≈400) of quasiclassical spins S=7/2 coming from Gd 3+ ions. The presence of BMP invalidates the notion of critical temperature and thus makes the incorporation of classical Gaussian fluctuations sufficient to realistically describe the situation. (paper)

Sediment transport and channel morphology of small, forested streams.

Science.gov (United States)

Marwan A. Hassan; Michael Church; Thomas E. Lisle; Francesco Brardinoni; Lee Benda; Gordon E. Grant

2005-01-01

This paper reviews sediment transport and channel morphology in small, forested streams in the Pacific Northwest region of North America to assess current knowledge of channel stability and morphology relevant to riparian management practices around small streams. Small channels are defined as ones in which morphology and hydraulics may be significantly influenced by...

Transport in a small aspect ratio torus

International Nuclear Information System (INIS)

White, R.B.; Gates, D.A.; Mynick, H.E.

2005-01-01

Transport theory in toroidal devices often assumes large aspect ratio and also assumes the poloidal field is small compared to the toroidal field. These assumptions result in transport which in the low collision rate limit is dominated by banana orbits, giving the largest collisionless excursion of a particle from an initial flux surface. However in a small aspect ratio device the gyro radius may be larger than the banana excursion, resulting in significant deviations from the standard neoclassical predictions. In this paper we report numerical simulation of diffusion in low and high beta low aspect ratio equilibria. We also sketch an analytic theory. The diffusion, which we refer to as omniclassical, is a combination of neoclassical and properly averaged classical effects, and can be two or three times the neoclassical value. Good agreement of the analytic theory with numerical simulations is obtained. (author)

Non-contact transportation system of small objects using Ultrasonic Waveguides

International Nuclear Information System (INIS)

Nakamura, K; Koyama, D

2012-01-01

A transportation system for small object or fluid without contact is investigated being based on ultrasonic levitation. Small objects are suspended against gravity at the nodal points in ultrasonic pressure field due to the sound radiation force generated as the gradient of the energy density of the field. In this study, the trapped object is transported in the horizontal plane by introducing the spatial shift of the standing waves by the switching the lateral modes or travelling waves. The goal of the study is to establish a technology which can provide a total system with the flexibility in composing various transportation paths. Methods for linear/rotary stepping motions and continuous linear transportation are explained in this report. All the transportation tracks are composed of a bending vibrator and a reflector. The design for these acoustic cavity/waveguide is discussed.

A new polaronic order-disorder phase transition in magnetite as observed through μSR

International Nuclear Information System (INIS)

Boekema, C.; Lichti, R.L.; Denison, A.B.; Brabers, V.A.M.; Cooke, D.W.; Heffner, R.H.; Hutson, R.L.; Schillaci, M.E.

1986-01-01

Recent μSr measurements on the Mott-Wigner glass magnetite, as a function of temperature and external magnetic field have shown the existence of two inequivalent magnetic sites below T A = 247 K. These data are being interpreted in terms of the onset or destruction of local order manifested as local atomic correlations (molecular polarons). (orig.)

Kinetic Monte Carlo Study of Ambipolar Lithium Ion and Electron-Polaron Diffusion into Nanostructured TiO2

International Nuclear Information System (INIS)

Yu, Jianguo; Sushko, Maria L.; Kerisit, Sebastien N.; Rosso, Kevin M.; Liu, Jun

2012-01-01

Nanostructured titania (TiO2) polymorphs have proved to be promising electrode materials for next generation lithium-ion batteries. However, there is still a lack of understanding of the fundamental microscopic processes that control charge transport in these materials. Here we present microscopic simulations of the collective dynamics of lithium-ion (Li+) and charge compensating electron polarons (e-) in rutile TiO2 nanoparticles in contact with idealized conductive matrix and electrolyte. Kinetic Monte Carlo simulations are used, parameterized by molecular dynamics-based predictions of activation energy barriers for Li+ and e- diffusion. Simulations reveal the central role of electrostatic coupling between Li+ and e- on their collective drift diffusion at the nanoscale. They also demonstrate that high contact area between conductive matrix and rutile nanoparticles leads to undesirable coupling-induced surface saturation effects during Li+ insertion, which limits the overall capacity and conductivity of the material. These results help provide guidelines for design of nanostructured electrode materials with improved electrochemical performance.

Study of spin-polaron formation in 1D systems

Energy Technology Data Exchange (ETDEWEB)

Arredondo, Y.; Navarro, O. [Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Apartado Postal 70-360, 04510 México D.F. (Mexico); Vallejo, E. [Facultad de Ingeniería Mecánica y Eléctrica, Universidad Autónoma de Coahuila, Carretera Torreón-Matamoros Km. 7.5 Ciudad Universitaria, 27276 Torreón, Coahuila (Mexico)

2014-05-15

We study numerically the formation of spin-polarons in low-dimensional systems. We consider a ferromagnetic Kondo lattice model with Hund coupling J{sub H} and localized spins interacting antiferromagnetically with coupling constant J. We investigate the ground state phase diagram as a function of the exchange couplings J{sub H} and J and as a function of the band filling, since it has been observed that doping either on the ferromagnetic or antiferromagnetic regime lead to formation of magnetic domains [1]. We explore the quasi-particle formation and phase separation using the density-matrix renormalization group method, which is a highly efficient method to investigate quasi-one-dimensional strongly correlated systems.

Evaluating the transport in small-world and scale-free networks

International Nuclear Information System (INIS)

Juárez-López, R.; Obregón-Quintana, B.; Hernández-Pérez, R.; Reyes-Ramírez, I.; Guzmán-Vargas, L.

2014-01-01

We present a study of some properties of transport in small-world and scale-free networks. Particularly, we compare two types of transport: subject to friction (electrical case) and in the absence of friction (maximum flow). We found that in clustered networks based on the Watts–Strogatz (WS) model, for both transport types the small-world configurations exhibit the best trade-off between local and global levels. For non-clustered WS networks the local transport is independent of the rewiring parameter, while the transport improves globally. Moreover, we analyzed both transport types in scale-free networks considering tendencies in the assortative or disassortative mixing of nodes. We construct the distribution of the conductance G and flow F to evaluate the effects of the assortative (disassortative) mixing, finding that for scale-free networks, as we introduce different levels of the degree–degree correlations, the power-law decay in the conductances is altered, while for the flow, the power-law tail remains unchanged. In addition, we analyze the effect on the conductance and the flow of the minimum degree and the shortest path between the source and destination nodes, finding notable differences between these two types of transport

Effect of doping Ca on polaron hopping in LaSr 2 Mn 2 O 7

Indian Academy of Sciences (India)

... Lecture Workshops · Refresher Courses · Symposia · Live Streaming. Home; Journals; Pramana – Journal of Physics; Volume 58; Issue 5-6. Effect of doping Ca on polaron hopping in LaSr2Mn2O7. S N Bhatia Osama A Yassin. Colossal Magnetoresistance & Other Materials Volume 58 Issue 5-6 May-June 2002 pp 1061- ...

A polaronic model of superconductivity in doped fulleride systems

International Nuclear Information System (INIS)

Tiwari, S.C.

2007-01-01

Full text: A polaronic model of superconductivity in doped fulleride systems is presented. The normal and anomalous one-particle Green's functions are derived for a system with strong electron phonon coupling. The study of collapse of the electron band and the phonon vacuum is presented within the mean-field approximation. Self consistent equation for the superconducting order parameter is derived using Green's function technique and following Lang and Firsov transformations. Expressions for specific heat, density of states, free energy and critical field based on this model have been derived. The theory is applied to explain the experimental results in the systems K 3 C 60 and Rb 3 C 6 O. These results are in good agreement with the available experimental data. (authors)

The contribution of free water transport and small pore transport to the total fluid removal in peritoneal dialysis

NARCIS (Netherlands)

Parikova, Alena; Smit, Watske; Struijk, Dirk G.; Zweers, Machteld M.; Krediet, Raymond T.

2005-01-01

BACKGROUND: Water transport in peritoneal dialysis (PD) patients is across the small pores and water channels, the latter allowing free water transport. The objective of the study was to investigate the contribution of each transport route on transcapillary ultrafiltration (TCUF). METHODS: Standard

Polaron Hopping in Nano-scale Poly(dA–Poly(dT DNA

Directory of Open Access Journals (Sweden)

Singh Mahi

2010-01-01

Full Text Available Abstract We investigate the current–voltage relationship and the temperature-dependent conductance of nano-scale samples of poly(dA–poly(dT DNA molecules. A polaron hopping model has been used to calculate the I–V characteristic of nano-scale samples of DNA. This model agrees with the data for current versus voltage at temperatures greater than 100 K. The quantities G 0 , i 0 , and T 1d are determined empirically, and the conductivity is estimated for samples of poly(dA–poly(dT.

Inelastic scattering in a local polaron model with quadratic coupling to bosons

DEFF Research Database (Denmark)

Olsen, Thomas

2009-01-01

We calculate the inelastic scattering probabilities in the wide band limit of a local polaron model with quadratic coupling to bosons. The central object is a two-particle Green's function which is calculated exactly using a purely algebraic approach. Compared with the usual linear interaction term...... a quadratic interaction term gives higher probabilities for inelastic scattering involving a large number of bosons. As an application we consider the problem hot-electron-mediated energy transfer at surfaces and use the delta self-consistent field extension of density-functional theory to calculate...

f-f Magnetic polaron Wigner glass and anomalous superconductivity in U sub 1 sub - sub x Th sub x Be sub 1 sub 3

CERN Document Server

Kasuya, T

2000-01-01

Mechanisms of the anomalous properties in the heavy fermion superconductor UBe sub 1 sub 3 and its alloys, in particular for the Th dopings, are studied in detail based on the fundamental electronic states to be consistent with all the crucial experimental results. As the reference systems for the magnetic polaron formation, Ce monopnictides, as well as USb and UTe, are mentioned. From detailed systematic studies of the dilute alloy systems, it is postulated that the 5f states in UBe sub 1 sub 3 split into the well-localized core 5f GAMMA sup 2 sub 7 singlet state and other delocalized 5f states situated around the Fermi energy forming the f-f magnetic polarons through the strong intra-atomic ferromagnetic f-f exchange interaction. The accompanied lattice polarons are also shown to play important roles. In the p-d band states, the f-f exchange interaction and the intersite p-f mixing interactions for the p-f Kondo state are of nearly equal strengths causing a rich variety of delicately balanced states. For th...

The nature of excess electrons in anatase and rutile from hybrid DFT and RPA.

Science.gov (United States)

Spreafico, Clelia; VandeVondele, Joost

2014-12-21

The behavior of excess electrons in undoped and defect free bulk anatase and rutile TiO2 has been investigated by state-of-the-art electronic structure methods including hybrid density functional theory (DFT) and the random phase approximation (RPA). Consistent with experiment, charge trapping and polaron formation is observed in both anatase and rutile. The difference in the anisotropic shape of the polarons is characterized, confirming for anatase the large polaron picture. For anatase, where polaron formation energies are small, charge trapping is observed also with standard hybrid functionals, provided the simulation cell is sufficiently large (864 atoms) to accommodate the lattice relaxation. Even though hybrid orbitals are required as a starting point for RPA in this system, the obtained polaron formation energies are relatively insensitive to the amount of Hartree-Fock exchange employed. The difference in trapping energy between rutile and anatase can be obtained accurately with both hybrid functionals and RPA. Computed activation energies for polaron hopping and delocalization clearly show that anatase and rutile might have different charge transport mechanisms. In rutile, only hopping is likely, whereas in anatase hopping and delocalization are competing. Delocalization will result in conduction-band-like and thus enhanced transport. Anisotropic conduction, in agreement with experimental data, is observed, and results from the tendency to delocalize in the [001] direction in rutile and the (001) plane in anatase. For future work, our calculations serve as a benchmark and suggest RPA on top on hybrid orbitals (PBE0 with 30% Hartree-Fock exchange), as a suitable method to study the rich chemistry and physics of TiO2.

Small transport aircraft technology

Science.gov (United States)

Williams, L. J.

1983-01-01

Information on commuter airline trends and aircraft developments is provided to upgrade the preliminary findings of a NASA-formed small transport aircraft technology (STAT) team, established to determine whether the agency's research and development programs could help commuter aircraft manufacturers solve technical problems related to passenger acceptance and use of 19- to 50-passenger aircraft. The results and conclusions of the full set of completed STAT studies are presented. These studies were performed by five airplane manufacturers, five engine manufacturers, and two propeller manufacturers. Those portions of NASA's overall aeronautics research and development programs which are applicable to commuter aircraft design are summarized. Areas of technology that might beneficially be expanded or initiated to aid the US commuter aircraft manufacturers in the evolution of improved aircraft for the market are suggested.

Charge solitons and their dynamical mass in one-dimensional arrays of Josephson junctions

International Nuclear Information System (INIS)

Homfeld, Jens; Protopopov, Ivan; Rachel, Stephan; Shnirman, Alexander

2011-01-01

We investigate charge transport in one-dimensional arrays of Josephson junctions. In the interesting regime of ''small charge solitons'' (polarons), ΛE J >E C >E J , where Λ is the (electrostatic) screening length, the charge dynamics are strongly influenced by the polaronic effects (i.e., by dressing of a Cooper pair by charge dipoles). In particular, the soliton's mass in this regime scales approximately as E J -2 . We employ two theoretical techniques: the many-body tight-binding approach and the mean-field approach, and the results of the two approaches agree in the regime of ''small charge solitons.'' Renormalization of the soliton's mass could be observed; for example, as enhancement of the persistent current in a ring-shaped array.

Charge transport in micas: The kinetics of FeII/III electron transfer in the octahedral sheet

International Nuclear Information System (INIS)

Rosso, Kevin M.; Ilton, Eugene S.

2003-01-01

The two principal FeII/III electron exchange reactions underlying charge transport in the octahedral sheet of ideal end-member annite were modeled using a combination of ab initio calculations and Marcus electron transfer theory. A small polaron model was applied which yielded electron hopping activation energies that agree well with the limited available experimental data. A small ab initio cluster model successfully reproduced several important structural, energetic, and magnetic characteristics of the M1 and M2 Fe sites in the annite octahedral sheet. The cluster enabled calculation of the internal reorganization energy and electronic coupling matrix elements for the M2-M2 and M1-M2 electron transfer reactions. The M2-M2 electron transfer is symmetric with a predicted forward/reverse electron hopping rate of 106 s-1. The M1-M2 electron transfers are asymmetric due to the higher ionization potential by 0.46 eV of FeII in the M1 site. The electronic coupling matrix elements for these reactions are predicted to be small and of similar magnitude, suggesting the possibility that the coupling is essentially direction independent amongst hopping directions in the octahedral sheet. M1 Fe sites are predicted to be efficient electron traps and charge transport should occur by nearest-neighbor electron hops along the M2 Fe sublattice

Influence of electron beam irradiation on electrical, structural, magnetic and thermal properties of Pr{sub 0.8}Sr{sub 0.2}MnO{sub 3} manganites

Energy Technology Data Exchange (ETDEWEB)

Christopher, Benedict [Department of Physics, Manipal Institute of Technology, Manipal University, Manipal 576104 (India); Rao, Ashok, E-mail: ashokanu_rao@rediffmail.com [Department of Physics, Manipal Institute of Technology, Manipal University, Manipal 576104 (India); Petwal, Vikash Chandra; Verma, Vijay Pal; Dwivedi, Jishnu [Industrial Accelerator Section, PSIAD, Raja Ramanna Centre for Advanced Technology, Indore 452012, M.P. (India); Lin, W.J. [Department of Physics, National Dong Hwa University, Hualien 97401, Taiwan (China); Kuo, Y.-K., E-mail: ykkuo@mail.ndhu.edu.tw [Department of Physics, National Dong Hwa University, Hualien 97401, Taiwan (China)

2016-12-01

In this communication, the effect of electron beam (EB) irradiation on the structural, electrical transport and thermal properties of Pr{sub 0.8}Sr{sub 0.2}MnO{sub 3} manganites has been investigated. Rietveld refinement of XRD data reveals that all samples are single phased with orthorhombic distorted structure (Pbnm). It is observed that the orthorhombic deformation increases with EB dosage. The Mn–O–Mn bond angle is found to increase with increase in EB dosage, presumably due to strain induced by these irradiations. Analysis on the measured electrical resistivity data indicates that the small polaron hopping model is operative in the high temperature region for pristine as well as EB irradiated samples. The electrical resistivity in the entire temperature region has been successfully fitted with the phenomenological percolation model which is based on phase segregation of ferromagnetic metallic clusters and paramagnetic insulating regions. The Seebeck coefficient (S) of the pristine as well as the irradiated samples exhibit positive values, indicating that holes is the dominant charge carriers. The analysis of Seebeck coefficient data confirms that the small polaron hopping mechanism governs the thermoelectric transport in the high temperature region. In addition, Seebeck coefficient data also is well fitted with the phenomenological percolation model. The behavior in thermal conductivity at the transition is ascribed to the local anharmonic distortions associated with small polarons. Specific heat measurement indicates that electron beam irradiation enhances the magnetic inhomogeneity of the system.

Proton impurity in the neutron matter: a nuclear polaron problem

Energy Technology Data Exchange (ETDEWEB)

Kutschera, M [Institute of Nuclear Physics, Cracow (Poland); Wojcik, W [Politechnika Krakowska, Cracow (Poland)

1992-10-01

We study interactions of a proton impurity with density oscillations of the neutron matter in a Debye approximation. The proton-phonon coupling is of the deformation-potential type at long wavelengths. It is weak at low density and increases with the neutron matter density. We calculate the proton`s effective mass perturbatively for a weak coupling, and use a canonical transformation technique for stronger couplings. The proton`s effective mass grows significantly with density, and at higher densities the proton impurity can be localized. This behaviour is similar to that of the polaron in solids. We obtain properties of the localized proton in the strong coupling regime from variational calculations, treating the neutron in the Thomas-Fermi approximation. (author). 14 refs, 8 figs.

Charge transport in organic semiconductors.

Science.gov (United States)

Bässler, Heinz; Köhler, Anna

2012-01-01

Modern optoelectronic devices, such as light-emitting diodes, field-effect transistors and organic solar cells require well controlled motion of charges for their efficient operation. The understanding of the processes that determine charge transport is therefore of paramount importance for designing materials with improved structure-property relationships. Before discussing different regimes of charge transport in organic semiconductors, we present a brief introduction into the conceptual framework in which we interpret the relevant photophysical processes. That is, we compare a molecular picture of electronic excitations against the Su-Schrieffer-Heeger semiconductor band model. After a brief description of experimental techniques needed to measure charge mobilities, we then elaborate on the parameters controlling charge transport in technologically relevant materials. Thus, we consider the influences of electronic coupling between molecular units, disorder, polaronic effects and space charge. A particular focus is given to the recent progress made in understanding charge transport on short time scales and short length scales. The mechanism for charge injection is briefly addressed towards the end of this chapter.

A variational study of the self-trapped magnetic polaron formation in double-exchange model

International Nuclear Information System (INIS)

Liu Tao; Feng Mang; Wang Kelin

2005-01-01

We study the formation of self-trapped magnetic polaron (STMP) in an antiferro/ferromagnetic double-exchange model semi-analytically by variational solutions. It is shown that the Jahn-Teller effect is not essential to the STMP formation and the STMP forms in the antiferromagnetic material within the region of the order of the lattice constant. We also confirm that no ground state STMP exists in the ferromagnetic background, but the ground state bound MP could appear due to the impurity potential

Interfacial area transport of bubbly flow in a small diameter pipe

International Nuclear Information System (INIS)

Hibiki, Takashi; Takamasa, Tomoji; Ishii, Mamoru

2001-01-01

In relation to the development of the interfacial area transport equation, this study focused on modeling of the interfacial area transport mechanism of vertical adiabatic air-water bubbly flows in a relatively small diameter pipe where the bubble size-to-pipe diameter ratio was relatively high and the radial motion of bubbles was restricted by the presence of the pipe wall. The sink term of the interfacial area concentration was modeled by considering wake entrainment as a possible bubble coalescence mechanism, whereas the source term was neglected by assuming negligibly small bubble breakup for low liquid velocity conditions based on visual observation. One-dimensional interfacial area transport equation with the derived sink term was evaluated by using five datasets of vertical adiabatic air-water bubbly flows measured in a 9.0 mm-diameter pipe (superficial gas velocity: 0.013-0.052 m/s, superficial liquid velocity: 0.58-1.0 m/s). The modeled interfacial area transport equation could reproduce the proper trend of the axial interfacial area transport and predict the measured interfacial area concentrations within an average relative deviation of ±11.1%. It was recognized that the present model would be promising for predicting the interfacial area transport of the examined bubbly flows. (author)

Analysis of Small Aircraft as a Transportation System

Science.gov (United States)

Dollyhigh, Samuel M.; Yackovetsky, Robert E. (Technical Monitor)

2002-01-01

An analysis was conducted to examine the market viability of small aircraft as a transportation mode in competition with automobile and scheduled commercial air travel by estimating the pool of users that would potentially switch to on-demand air travel due to cost/time savings. The basis for the analysis model was the Integrated Air Transportation System Evaluation Tool (IATSET) which was developed under contract to NASA by the Logistics Management Institute. IATSET is a macroeconomic model that predicts at a National level the mode choice between automobile, scheduled air, and on-demand air travel based on the value of a travelers time and monetary cost of the trip. A number of modifications are detailed to the original IATSET to better model the changing small aircraft environment. The potential trip market was modeled for the Eclipse 500 operated as a corporate jet and as an air taxi for the business travel market. The Cirrus 20R and a $80K single engine piston aircraft (based on automobile manufacturing technology) are evaluated in the pleasure and personal business travel market.

Electron small polarons and their mobility in iron (oxyhydr)oxide nanoparticles

DEFF Research Database (Denmark)

Katz, Jordan E; Zhang, Xiaoyi; Attenkofer, Klaus

2012-01-01

Electron mobility within iron (oxyhydr)oxides enables charge transfer between widely separated surface sites. There is increasing evidence that this internal conduction influences the rates of interfacial reactions and the outcomes of redox-driven phase transformations of environmental interest....... To determine the links between crystal structure and charge-transport efficiency, we used pump-probe spectroscopy to study the dynamics of electrons introduced into iron(III) (oxyhydr)oxide nanoparticles via ultrafast interfacial electron transfer. Using time-resolved x-ray spectroscopy and ab initio...

78 FR 70617 - Notice of Funding Availability for the Small Business Transportation Resource Center Program

Science.gov (United States)

2013-11-26

... assistance, business training programs, business assessment, management training, counseling, marketing and... assessment of the regional small business transportation community needs. (B) General Management & Technical... improve the management of their own small business to expand their transportation- related contracts and...

Electron beam induced electronic transport in alkyl amine-intercalated VOx nanotubes

International Nuclear Information System (INIS)

O'Dwyer, C.; Lavayen, V.; Clavijo-Cedeno, C.; Torres, C.M.S.

2008-01-01

The electron beam induced electronic transport in primary alkyl amine-intercalated V 2 O 5 nanotubes is investigated where the organic amine molecules are employed as molecular conductive wires to an aminosilanized substrate surface and contacted to Au interdigitated electrode contacts. The results demonstrate that the high conductivity of the nanotubes is related to the non-resonant tunnelling through the amine molecules and a reduced polaron hopping conduction through the vanadium oxide itself. Both nanotube networks and individual nanotubes exhibit similarly high conductivities where the minority carrier transport is bias dependent and nanotube diameter invariant. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Theory of quantum transport at nanoscale an introduction

CERN Document Server

Ryndyk, Dmitry A

2016-01-01

This book is an introduction to a rapidly developing field of modern theoretical physics – the theory of quantum transport at nanoscale. The theoretical methods considered in the book are in the basis of our understanding of charge, spin and heat transport in nanostructures and nanostructured materials and are widely used in nanoelectronics, molecular electronics, spin-dependent electronics (spintronics) and bio-electronics. The book is based on lectures for graduate and post-graduate students at the University of Regensburg and the Technische Universität Dresden (TU Dresden). The first part is devoted to the basic concepts of quantum transport: Landauer-Büttiker method and matrix Green function formalism for coherent transport, Tunneling (Transfer) Hamiltonian and master equation methods for tunneling, Coulomb blockade, vibrons and polarons. The results in this part are obtained as possible without sophisticated techniques, such as nonequilibrium Green functions, which are considered in detail in the...

Many-polaron theory for superconductivity and charge-density waves in a strongly coupled electron-phonon system with quasi-two-dimensionality: An interpolation between the adiabatic limit and the inverse-adiabatic limit

International Nuclear Information System (INIS)

Nasu, K.

1987-01-01

The phase diagram of a two-dimensional N-site N-electron system (N>>1) with site-diagonal electron-phonon (e-ph) coupling is studied in the context of polaron theory, so as to clarify the competition between the superconducting (SC) state and the charge-density wave (CDW) state. The Fermi surface of noninteracting electrons is assumed to be a complete circle with no nesting-type instability in the case of weak e-ph coupling, so as to focus on such a strong coupling that even the standard ''strong-coupling theory'' for superconductivity breaks down. Phonon clouds moving with electrons as well as a frozen phonon are taken into account by a variational method, combined with a mean-field theory. It covers the whole region of three basic parameters characterizing the system: the intersite transfer energy of electron T, the e-ph coupling energy S, and the phonon energy ω. The resultant phase diagram is given in a triangular coordinate space spanned by T, S, and ω. In the adiabatic region ω >(T,S) near the ω vertex of the triangle, on the other hand, each electron becomes a small polaron, and the SC state is always more stable than the CDW state, because the retardation effect is absent

Urea transporter proteins as targets for small-molecule diuretics.

Science.gov (United States)

Esteva-Font, Cristina; Anderson, Marc O; Verkman, Alan S

2015-02-01

Conventional diuretics such as furosemide and thiazides target salt transporters in kidney tubules, but urea transporters (UTs) have emerged as alternative targets. UTs are a family of transmembrane channels expressed in a variety of mammalian tissues, in particular the kidney. UT knockout mice and humans with UT mutations exhibit reduced maximal urinary osmolality, demonstrating that UTs are necessary for the concentration of urine. Small-molecule screening has identified potent and selective inhibitors of UT-A, the UT protein expressed in renal tubule epithelial cells, and UT-B, the UT protein expressed in vasa recta endothelial cells. Data from UT knockout mice and from rodents administered UT inhibitors support the diuretic action of UT inhibition. The kidney-specific expression of UT-A1, together with high selectivity of the small-molecule inhibitors, means that off-target effects of such small-molecule drugs should be minimal. This Review summarizes the structure, expression and function of UTs, and looks at the evidence supporting the validity of UTs as targets for the development of salt-sparing diuretics with a unique mechanism of action. UT-targeted inhibitors may be useful alone or in combination with conventional diuretics for therapy of various oedemas and hyponatraemias, potentially including those refractory to treatment with current diuretics.

The Air Transportation Policy of Small States: Meeting the Challenges of Globalization

Science.gov (United States)

Antoniou, Andreas

2001-01-01

The air transport policies of small states are currently at a crossroad. Policy makers in these countries are facing a difficult dilemma: either follow the general trend of liberalization and pay the high cost of the resulting restructuring or maintain the existing regulatory and ownership structures at the risk of isolation thus undermining the viability and sustainability of their air transport sector and their economies in general. This paper proposes to explore the broad issues raised by this difficult dilemma, to outline its special significance in the context of small states and to delineate the options opened to the economic policymakers; in these states. After a brief note on the method of research, we sketch the main elements of the international air transport industry in which the airlines of small states are called upon to act. We then propose to review the main features of the analytical framework of this debate as it pertains to the special circumstances of these states. Then we focus on the challenges facing the airlines of Small States, while the next section proposes a number of the alternative policy options open to the policy makers in these states. The main conclusions are drawn in the final section.

Acoustic Levitation Transportation of Small Objects Using a Ring-type Vibrator

Science.gov (United States)

Thomas, Gilles P. L.; Andrade, Marco A. B.; Adamowski, Julio C.; Silva, Eḿílio C. N.

A new device for noncontact transportation of small solid objects is presented here. Ultrasonic flexural vibrations are generated along the ring shaped vibrator using two Langevin transducers and by using a reflector parallel to the vibrator, small particles are trapped at the nodal points of the resulting acoustic standing wave. The particles are then moved by generating a traveling wave along the vibrator, which can be done by modulating the vibration amplitude of the transducers. The working principle of the traveling wave along the vibrator has been modeled by the superposition of two orthogonal standing waves, and the position of the particles can be predicted by using finite element analysis of the vibrator and the resulting acoustic field. A prototype consisting of a 3 mm thick, 220 mm long, 50 mm wide and 52 mm radius aluminum ring-type vibrator and a reflector of the same length and width was built and small polystyrene spheres have been successfully transported along the straight parts of the vibrator.

Production and cost of harvesting, processing, and transporting small-diameter (< 5 inches) trees for energy

Science.gov (United States)

Fei Pan; Han-Sup Han; Leonard R. Johnson; William J. Elliot

2008-01-01

Dense, small-diameter stands generally require thinning from below to improve fire-tolerance. The resulting forest biomass can be used for energy production. The cost of harvesting, processing, and transporting small-diameter trees often exceeds revenues due to high costs associated with harvesting and transportation and low market values for forest biomass....

Analysis of the Sodium Recirculation Theory of Solute Coupled Water Transport in Small Intestine

DEFF Research Database (Denmark)

Larsen, E. H.; Sørensen, Jens Nørkær; Sørensen, J. B.

2002-01-01

Our previous mathematical model of solute-coupled water transport through the intestinal epithelium is extended for dealing with electrolytes rather than electroneutral solutes. A 3Na+-2K+ pump in the lateral membranes provides the energy-requiring step for driving transjunctional and translateral......, computations predict that the concentration differences between lis and bathing solutions are small for all three ions. Nevertheless, the diffusion fluxes of the ions out of lis significantly exceed their mass transports. It is concluded that isotonic transport requires recirculation of all three ions....... The computed sodium recirculation flux that is required for isotonic transport corresponds to that estimated in experiments on toad small intestine. This result is shown to be robust and independent of whether the apical entrance mechanism for the sodium ion is a channel, a SGLT1 transporter driving inward...

The Small Protein SgrT Controls Transport Activity of the Glucose-Specific Phosphotransferase System.

Science.gov (United States)

Lloyd, Chelsea R; Park, Seongjin; Fei, Jingyi; Vanderpool, Carin K

2017-06-01

The bacterial small RNA (sRNA) SgrS has been a fruitful model for discovery of novel RNA-based regulatory mechanisms and new facets of bacterial physiology and metabolism. SgrS is one of only a few characterized dual-function sRNAs. SgrS can control gene expression posttranscriptionally via sRNA-mRNA base-pairing interactions. Its second function is coding for the small protein SgrT. Previous work demonstrated that both functions contribute to relief of growth inhibition caused by glucose-phosphate stress, a condition characterized by disrupted glycolytic flux and accumulation of sugar phosphates. The base-pairing activity of SgrS has been the subject of numerous studies, but the activity of SgrT is less well characterized. Here, we provide evidence that SgrT acts to specifically inhibit the transport activity of the major glucose permease PtsG. Superresolution microscopy demonstrated that SgrT localizes to the cell membrane in a PtsG-dependent manner. Mutational analysis determined that residues in the N-terminal domain of PtsG are important for conferring sensitivity to SgrT-mediated inhibition of transport activity. Growth assays support a model in which SgrT-mediated inhibition of PtsG transport activity reduces accumulation of nonmetabolizable sugar phosphates and promotes utilization of alternative carbon sources by modulating carbon catabolite repression. The results of this study expand our understanding of a basic and well-studied biological problem, namely, how cells coordinate carbohydrate transport and metabolism. Further, this work highlights the complex activities that can be carried out by sRNAs and small proteins in bacteria. IMPORTANCE Sequencing, annotation and investigation of hundreds of bacterial genomes have identified vast numbers of small RNAs and small proteins, the majority of which have no known function. In this study, we explore the function of a small protein that acts in tandem with a well-characterized small RNA during metabolic

Disentangling overlapping high-field EPR spectra of organic radicals: Identification of light-induced polarons in the record fullerene-free solar cell blend PBDB-T:ITIC

Science.gov (United States)

Van Landeghem, Melissa; Maes, Wouter; Goovaerts, Etienne; Van Doorslaer, Sabine

2018-03-01

We present a combined high-field EPR and DFT study of light-induced radicals in the bulk heterojunction blend of PBDB-T:ITIC, currently one of the highest efficiency non-fullerene donor:acceptor combinations in organic photovoltaics. We demonstrate two different approaches for disentangling the strongly overlapping high-field EPR spectra of the positive and negative polarons after charge separation: (1) relaxation-filtered field-swept EPR based on the difference in T1 spin-relaxation times and (2) field-swept EDNMR-induced EPR by exploiting the presence of 14N hyperfine couplings in only one of the radical species, the small molecule acceptor radical. The approach is validated by light-induced EPR spectra on related blends and the spectral assignment is underpinned by DFT computations. The broader applicability of the spectral disentangling methods is discussed.

Transportable, small high-pressure preservation vessel for cells

International Nuclear Information System (INIS)

Kamimura, N; Sotome, S; Shimizu, A; Nakajima, K; Yoshimura, Y

2010-01-01

We have previously reported that the survival rate of astrocytes increases under high-pressure conditions at 4 0 C. However, pressure vessels generally have numerous problems for use in cell preservation and transportation: (1) they cannot be readily separated from the pressurizing pump in the pressurized state; (2) they are typically heavy and expensive due the use of materials such as stainless steel; and (3) it is difficult to regulate pressurization rate with hand pumps. Therefore, we developed a transportable high-pressure system suitable for cell preservation under high-pressure conditions. This high-pressure vessel has the following characteristics: (1) it can be easily separated from the pressurizing pump due to the use of a cock-type stop valve; (2) it is small and compact, is made of PEEK and weighs less than 200 g; and (3) pressurization rate is regulated by an electric pump instead of a hand pump. Using this transportable high-pressure vessel for cell preservation, we found that astrocytes can survive for 4 days at 1.6 MPa and 4 0 C.

Studies on structural, dielectric, and transport properties of Ni{sub 0.65}Zn{sub 0.35}Fe{sub 2}O{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Pradhan, Dhiren K.; Misra, Pankaj; Sahoo, Satyaprakash; Katiyar, Ram S., E-mail: rkatiyar@hpcf.upr.edu [Department of Physics and Institute of Functional Nanomaterials, University of Puerto Rico, San Juan 00936, Puerto Rico (United States); Puli, Venkata S. [Department of Physics and Engineering Physics, Tulane University, New Orleans, Louisiana 70118 (United States); Pradhan, Dillip K. [Department of Physics, National Institute of Technology, Rourkela 769008 (India)

2014-06-28

We report the crystal structure, dielectric, transport, and magnetic properties of Ni{sub 0.65}Zn{sub 0.35}Fe{sub 2}O{sub 4}. Rietveld refinement results of X-ray diffraction patterns confirm the phase formation of the material with cubic crystal structure (Fd3{sup ¯}m). The frequency dependent ac conductivity behavior obeys the Jonscher's power law and is explained using the jump relaxation model. The observed behavior of temperature dependent bulk conductivity is attributed to the variable-range hopping of localized polarons. The correlation of polaron conduction and high permittivity behavior of NZFO is established on the basis of long range and short range conduction mechanisms. The complex impedance spectra clearly show the contribution of both grain and grain boundary effect on the electrical properties.

Heavy-flavour transport: from large to small systems

Energy Technology Data Exchange (ETDEWEB)

Beraudo, A.; De Pace, A.; Monteno, M.; Nardi, M.; Prino, F.

2016-12-15

Predictions for heavy-flavour production in relativistic heavy-ion experiments provided by the POWLANG transport setup, including now also an in-medium hadronization model, are displayed, After showing some representative findings for the Au-Au and Pb-Pb cases, a special focus will be devoted to the results obtained in the small systems formed in proton(deuteron)-nucleus collisions, where recent experimental data suggest the possible formation of a medium featuring a collective behaviour.

Direct detection of SERCA calcium transport and small-molecule inhibition in giant unilamellar vesicles

International Nuclear Information System (INIS)

Bian, Tengfei; Autry, Joseph M.; Casemore, Denise; Li, Ji; Thomas, David D.; He, Gaohong; Xing, Chengguo

2016-01-01

We have developed a charge-mediated fusion method to reconstitute the sarco/endoplasmic reticulum Ca 2+ -ATPase (SERCA) in giant unilamellar vesicles (GUV). Intracellular Ca 2+ transport by SERCA controls key processes in human cells such as proliferation, signaling, and contraction. Small-molecule effectors of SERCA are urgently needed as therapeutics for Ca 2+ dysregulation in human diseases including cancer, diabetes, and heart failure. Here we report the development of a method for efficiently reconstituting SERCA in GUV, and we describe a streamlined protocol based on optimized parameters (e.g., lipid components, SERCA preparation, and activity assay requirements). ATP-dependent Ca 2+ transport by SERCA in single GUV was detected directly using confocal fluorescence microscopy with the Ca 2+ indicator Fluo-5F. The GUV reconstitution system was validated for functional screening of Ca 2+ transport using thapsigargin (TG), a small-molecule inhibitor of SERCA currently in clinical trials as a prostate cancer prodrug. The GUV system overcomes the problem of inhibitory Ca 2+ accumulation for SERCA in native and reconstituted small unilamellar vesicles (SUV). We propose that charge-mediated fusion provides a widely-applicable method for GUV reconstitution of clinically-important membrane transport proteins. We conclude that GUV reconstitution is a technological advancement for evaluating small-molecule effectors of SERCA.

Electronic and magnetic phase separation in EuB6. Fluctuation spectroscopy and nonlinear transport

International Nuclear Information System (INIS)

Amyan, Adham

2013-01-01

The main topics of this thesis are electrical, stationary, and time-resolved transport measurements on EuB 6 as well as the further development of measuring methods and analysis procedures of the fluctuation spectroscopy. The first part of this thesis was dedicated to the further development of the already known measuring methods under application of a fast data-acquisition card. The second part deals with the electrical transport properties of EuB 6 and the understanding of the coupling between charge and magnetic degrees of freedom. By means of resistance and nonlinear-transport measurements as well as fluctuation spectroscopy hypotheses of other scientists were systematically verified as well as new knowledge obtained. The magnetoresistance was studied as function of the temperature in small external magnetic fields between 1 mT and 700 mT. Measurements of the third harmonic resistance as function of the temperature show maxima at T MI and T C . Electrical-resistance fluctuations were measured without external magnetic field between 5 and 100 K as well in presence of a magnetic field between 18 K and 32 K. At constant temperature measurements of the spectral power density in external magnetic fields were performed in the temperature range from 18 K to 32 K. Highly resolving measurements of the thermal expansion coefficient showed a very strong coupling of the magnetic (polaronic) degrees of freedom to the crystal lattice.

Electronic and magnetic phase separation in EuB{sub 6}. Fluctuation spectroscopy and nonlinear transport; Elektronische und magnetische Phasenseparation in EuB{sub 6}. Fluktuationsspektroskopie und nichtlinearer Transport

Energy Technology Data Exchange (ETDEWEB)

Amyan, Adham

2013-07-09

The main topics of this thesis are electrical, stationary, and time-resolved transport measurements on EuB{sub 6} as well as the further development of measuring methods and analysis procedures of the fluctuation spectroscopy. The first part of this thesis was dedicated to the further development of the already known measuring methods under application of a fast data-acquisition card. The second part deals with the electrical transport properties of EuB{sub 6} and the understanding of the coupling between charge and magnetic degrees of freedom. By means of resistance and nonlinear-transport measurements as well as fluctuation spectroscopy hypotheses of other scientists were systematically verified as well as new knowledge obtained. The magnetoresistance was studied as function of the temperature in small external magnetic fields between 1 mT and 700 mT. Measurements of the third harmonic resistance as function of the temperature show maxima at T{sub MI} and T{sub C}. Electrical-resistance fluctuations were measured without external magnetic field between 5 and 100 K as well in presence of a magnetic field between 18 K and 32 K. At constant temperature measurements of the spectral power density in external magnetic fields were performed in the temperature range from 18 K to 32 K. Highly resolving measurements of the thermal expansion coefficient showed a very strong coupling of the magnetic (polaronic) degrees of freedom to the crystal lattice.

Small Transport Aircraft Technology /STAT/ Propulsion Study

Science.gov (United States)

Heldenbrand, R. W.; Baerst, C. F.; Rowse, J. H.

1980-01-01

The NASA Small Transport Aircraft Technology (STAT) Propulsion Study was established to identify technology requirements and define the research and development required for new commuter aircraft. Interim results of the studies defined mission and design characteristics for 30- and 50-passenger aircraft. Sensitivities were defined that relate changes in engine specific fuel consumption (SFC), weight, and cost (including maintenance) to changes in the aircraft direct operating cost (DOC), takeoff gross weight, and empty weight. A comparison of performance and economic characteristics is presented between aircraft powered by 1980 production engines and those powered by a 1990 advanced technology baseline engine.

Effects of taurine on plasma glucose concentration and active glucose transport in the small intestine.

Science.gov (United States)

Tsuchiya, Yo; Kawamata, Koichi

2017-11-01

Taurine lowers blood glucose levels and improves hyperglycemia. However, its effects on glucose transport in the small intestine have not been investigated. Here, we elucidated the effect of taurine on glucose absorption in the small intestine. In the oral glucose tolerance test, addition of 10 mmol/L taurine suppressed the increase in hepatic portal glucose concentrations. To investigate whether the suppressive effect of taurine occurs via down-regulation of active glucose transport in the small intestine, we performed an assay using the everted sac of the rat jejunum. Addition of taurine to the mucosal side of the jejunum suppressed active glucose transport via sodium-glucose cotransporter 1 (SGLT1). After elimination of chloride ions from the mucosal solution, taurine did not show suppressive effects on active glucose transport. These results suggest that taurine suppressed the increase in hepatic portal glucose concentrations via suppression of SGLT1 activity in the rat jejunum, depending on chloride ions. © 2017 Japanese Society of Animal Science.

Photophysical properties of novel small acceptor molecules and their application in hybrid small-molecular/polymeric organic solar cells

Energy Technology Data Exchange (ETDEWEB)

Inal, Sahika; Castellani, Mauro; Neher, Dieter [Universitaet Potsdam, Institut fuer Physik und Astronomie, Potsdam-Golm (Germany); Sellinger, Alan [Institute of Materials Research and Engineering, Singapore (Singapore)

2009-07-01

Recent experimental investigations revealed that the photovoltaic properties of our devices are related to the balance between recombination and field-induced dissociation of interfacial excited states such as exciplexes or geminate polaron pairs. This balance was shown to be affected by the nanomorphology at the heterojunction. We have analyzed the photophysical properties of a new materials couple comprising an electron-donating PPV copolymer and a vinazene-based small molecule acceptor. Steady state and time-resolved photoluminescence (PL) spectroscopy in solution and in the solid state showed the formation of excimers within the acceptor. The associated long-range diffusion promise efficient energy harvesting at the heterojunction. On the other hand, blends of the PPV-derivative and the small molecule revealed strong exciplex formation. Therefore, bilayered hybrid small-molecular/polymeric solar cells have been fabricated by consequently spin-coating the macromolecular donor and the small molecule acceptor from two different solvents. The bilayer architecture limits recombination processes enabling high FFs of around 44% and a technologically important open circuit voltage of 1Volt.

Specific lysosomal transport of small neutral amino acids

International Nuclear Information System (INIS)

Pisoni, R.L.; Flickinger, K.S.; Thoene, J.G.; Christensen, H.N.

1986-01-01

Studies of amino acid exodus from lysosomes have allowed us previously to describe transport systems specific for cystine and another for cationic amino acids in fibroblast lysosomes. They are now able to study amino acid uptake into highly purified fibroblast lysosomes obtained by separating crude granular fraction on gradients formed by centrifugation in 35% isoosmotic Percoll solutions. Analog inhibition and saturation studies indicate that L-[ 14 C]proline (50 μM) uptake by fibroblast lysosomes at 37 0 C in 50 mM citrate/tris pH 7.0 buffer containing 0.25 M sucrose is mediated by two transport systems, one largely specific for L-proline and the other for which transport is shared with small neutral amino acids such as alanine, serine and threonine. At 7 mM, L-proline inhibits L-[ 14 C]proline uptake almost completely, whereas ala, ser, val, thr, gly, N-methylalanine and sarcosine inhibit proline uptake by 50-65%. The system shared by alanine, serine and threonine is further characterized by these amino acids strongly inhibiting the uptakes of each other. Lysosomal proline transport is selective for the L-isomer of the amino acid, and is scarcely inhibited by 7 mM arg, glu, asp, leu, phe, his, met, (methylamino) isobutyrate, betaine or N,N-dimethylglycine. Cis or trans-4-hydroxy-L-proline inhibit proline uptake only slightly. In sharp contrast to the fibroblast plasma membrane in which Na + is required for most proline and alanine transport, lysosomal uptake of these amino acids occurs independently of Na +

Electronic transport properties of hot-pressed B/sub 6/Si

International Nuclear Information System (INIS)

Wood, C.; Emin, D.; Feigelson, R.S.; Mackinnon, I.D.R.

1987-01-01

Measurements of the electrical conductivity, Seebeck coefficient and Hall mobility from --300 K to --1300 K have been carried out on multiphase hotpressed samples of the nominal composition B/sub 6/Si. In all samples the conductivity and the p-type Seebeck coefficient both increase smoothly with increasing temperature. By themselves, these facts suggest small-polaronic hopping between inequivalent sites. The measured Hall mobilities are always low, but vary in sign. A possible explanation is offered for this anomalous behavior

Nonlinear Transport in Organic Thin Film Transistors with Soluble Small Molecule Semiconductor.

Science.gov (United States)

Kim, Hyeok; Song, Dong-Seok; Kwon, Jin-Hyuk; Jung, Ji-Hoon; Kim, Do-Kyung; Kim, SeonMin; Kang, In Man; Park, Jonghoo; Tae, Heung-Sik; Battaglini, Nicolas; Lang, Philippe; Horowitz, Gilles; Bae, Jin-Hyuk

2016-03-01

Nonlinear transport is intensively explained through Poole-Frenkel (PF) transport mechanism in organic thin film transistors with solution-processed small molecules, which is, 6,13-bis(triisopropylsilylethynyl) (TIPS) pentacene. We outline a detailed electrical study that identifies the source to drain field dependent mobility. Devices with diverse channel lengths enable the extensive exhibition of field dependent mobility due to thermal activation of carriers among traps.

Disentangling overlapping high-field EPR spectra of organic radicals: Identification of light-induced polarons in the record fullerene-free solar cell blend PBDB-T:ITIC.

Science.gov (United States)

Van Landeghem, Melissa; Maes, Wouter; Goovaerts, Etienne; Van Doorslaer, Sabine

2018-03-01

We present a combined high-field EPR and DFT study of light-induced radicals in the bulk heterojunction blend of PBDB-T:ITIC, currently one of the highest efficiency non-fullerene donor:acceptor combinations in organic photovoltaics. We demonstrate two different approaches for disentangling the strongly overlapping high-field EPR spectra of the positive and negative polarons after charge separation: (1) relaxation-filtered field-swept EPR based on the difference in T 1 spin-relaxation times and (2) field-swept EDNMR-induced EPR by exploiting the presence of 14 N hyperfine couplings in only one of the radical species, the small molecule acceptor radical. The approach is validated by light-induced EPR spectra on related blends and the spectral assignment is underpinned by DFT computations. The broader applicability of the spectral disentangling methods is discussed. Copyright © 2018 Elsevier Inc. All rights reserved.

Oregon department of transportation small business group twice-monthly payments pilot project : summary report.

Science.gov (United States)

2008-07-01

Oregon Department of Transportation (ODOT) recently completed a pilot study on small business payment practices. In the study, three pilot projects were tested where payments to small business contractors were changed from a monthly payment to twice-...

Large polaron tunneling, magnetic and impedance analysis of magnesium ferrite nanocrystallite

Energy Technology Data Exchange (ETDEWEB)

Mahato, Dev K., E-mail: drdevkumar@yahoo.com [Department of Physics, National Institute of Technology Patna, Patna 800 005 (India); Majumder, Sumit [Department of Physics, Jadavpur University, Kolkata 700032 (India); Surface Physics and Material Science Division, Saha Institute of Nuclear Physics, 1/AF Bidhannagar, Kolkata 700 064 (India); Banerjee, S. [Surface Physics and Material Science Division, Saha Institute of Nuclear Physics, 1/AF Bidhannagar, Kolkata 700 064 (India)

2017-08-15

Graphical abstract: The diffraction peaks corresponding to the planes (111), (220), (311), (222), (400), (422), (511), (440), (620), (533) and (444) provide a clear evidence for the formation of spinel structure of the ferrites. The lattice parameter ‘a’ determined as 8.392 Å matches well with JCPDS (73-2410) file for MgFe{sub 2}O{sub 4.} The volume of the unit cell is 591.012 Å{sup 3}. The crystallite size of the synthesized powder estimated from X-ray peak broadening of (311) highest intensity diffraction peak using Scherer formula was 56.4 nm. - Highlights: • Both the grain and grain boundaries contribution to conductivity of the Mg-ferrite has been observed. • Polydispersive nature of the material is checked using Cole – Cole relation. • The ac conductivity of magnesium ferrite followed σ{sub ac} ∝ ω{sup n} dependence. • The variation of the exponent ‘n’ with temperature suggests that overlapping large polaron tunnelling is the dominant conduction mechanism. • The superparamagnetic behavior of this Mg-ferrite has been observed for sample S1 annealed at 500 °C. - Abstract: Single phase MgFe{sub 2}O{sub 4} (MFO) ferrite was prepared through sol-gel auto-combustion route. The Rietveld analysis of X-ray patterns reveals that our samples are single phase. The increase in average particle size with annealing temperature and formation of nanoparticle agglomerates is observed in MgFe{sub 2}O{sub 4}. The structural morphology of the nanoparticles is studied using Scanning Electron Microscopy (SEM). Formation of spinel structure is confirmed using Fourier transform infrared spectroscopy (FTIR). The Zero-Field-Cooled (ZFC) and Field-Cooled (FC) magnetization measurements show the maximum irreversibility at 700 °C annealing temperature. The formation of a maximum at blocking temperature, T{sub B}∼ 180 K for sample annealed at 500 °C in the ZFC curve shows the superparamagnetic behavior of the sample. The increase of saturation magnetism (M

The ground state energy of a bound polaron in the presence of a magnetic field

Energy Technology Data Exchange (ETDEWEB)

Zorkani, I [International Centre for Theoretical Physics, Trieste (Italy); Belhissi, R [Faculte des Sciences Dhar Mahraz, Fes (Morocco). Dept. de Physique

1995-09-01

A theoretical calculation for the ground state energy of a bound polaron as a function of the magnetic field is presented. The theory is based on a variational approach using a trial wave function proposed by Devreese et al. in the absence of the magnetic field. It was shown that his function is adequate for all electron - phonon coupling {alpha} and all parameter {gamma}{sub 0} which is the ratio between the L.O. phonon energy and the Colombian one. Analytical results are obtained in the weak coupling limit. (author). 27 refs, 4 figs, 1 tab.

Effect of sulfur addition on the transport properties of semiconducting iron phosphate glasses

Energy Technology Data Exchange (ETDEWEB)

El-Desoky, M.M. [Physics Department, Faculty of Science, Suez Canal University, Suez (Egypt); Ibrahim, F.A. [Department of Physics, Faculty of Education, Suez Canal University, Al-Arish (Egypt); Hassaan, M.Y. [Department of Physics, Faculty of Science, Al-Azhar University, Nasr City, 11884 Cairo (Egypt)

2011-08-15

The present paper focuses on a quantitative analysis of the metallic and semiconducting behavior of electrical resistivity in La{sub 0.91}Rb{sub 0.06}Mn{sub 0.94}O{sub 3} manganites. The contribution of inherent low-frequency acoustic phonons as well as high-frequency optical phonons, to the electron-phonon resistivity is estimated following Bloch-Gruneisen model. The computed phonon resistivity is compared with that of reported metallic resistivity, accordingly {rho}diff. [{rho}exp. - {l_brace}{rho}0 + {rho}e-ph (={rho}ac + {rho}op){r_brace}] have been analysed through electron-electron scattering. Also, the difference can be varies linearly with T{sup 4.5} in accordance with the electron-magnon scattering in the double exchange process. The results reveal important aspects transport mechanism as well as point out that it is not only dominated by electron-phonon scattering, but also by electron-electron and electron-magnon scattering process. Alternatively, in high temperature regime (T {>=} T{sub P}) the semiconducting nature is discussed with Mott's variable range hopping (VRH) and small polaron conduction (SPC) model. (authors)

Effect of sulfur addition on the transport properties of semiconducting iron phosphate glasses

International Nuclear Information System (INIS)

El-Desoky, M.M.; Ibrahim, F.A.; Hassaan, M.Y.

2011-01-01

The present paper focuses on a quantitative analysis of the metallic and semiconducting behavior of electrical resistivity in La 0.91 Rb 0.06 Mn 0.94 O 3 manganites. The contribution of inherent low-frequency acoustic phonons as well as high-frequency optical phonons, to the electron-phonon resistivity is estimated following Bloch-Gruneisen model. The computed phonon resistivity is compared with that of reported metallic resistivity, accordingly ρdiff. [ρexp. - {ρ0 + ρe-ph (=ρac + ρop)}] have been analysed through electron-electron scattering. Also, the difference can be varies linearly with T 4.5 in accordance with the electron-magnon scattering in the double exchange process. The results reveal important aspects transport mechanism as well as point out that it is not only dominated by electron-phonon scattering, but also by electron-electron and electron-magnon scattering process. Alternatively, in high temperature regime (T ≥ T P ) the semiconducting nature is discussed with Mott's variable range hopping (VRH) and small polaron conduction (SPC) model. (authors)

Effect of different conductivity between the spin polarons on spin injection in a ferromagnet/organic semiconductor system

International Nuclear Information System (INIS)

Mi Yilin; Zhang Ming; Yan Hui

2008-01-01

Spin injection across ferromagnet/organic semiconductor system with finite width of the layers was studied theoretically considering spin-dependent conductivity in the organic-semiconductor. It was found that the spin injection efficiency is directly dependent on the difference between the conductivity of the up-spin and down-spin polarons in the spin-injected organic system. Furthermore, the finite width of the structure, interfacial electrochemical-potential and conductivity mismatch have great influence on the spin injection process across ferromagnet/organic semiconductor interface

Electron-phonon interaction in quantum transport through quantum dots and molecular systems

Science.gov (United States)

Ojeda, J. H.; Duque, C. A.; Laroze, D.

2016-12-01

The quantum transport and effects of decoherence properties are studied in quantum dots systems and finite homogeneous chains of aromatic molecules connected to two semi-infinite leads. We study these systems based on the tight-binding approach through Green's function technique within a real space renormalization and polaron transformation schemes. In particular, we calculate the transmission probability following the Landauer-Büttiker formalism, the I - V characteristics and the noise power of current fluctuations taken into account the decoherence. Our results may explain the inelastic effects through nanoscopic systems.

Interrelation of transport properties, defect structure and spin state of Ni3+ in La1.2Sr0.8Ni0.9Fe0.1O4+δ

Science.gov (United States)

Gilev, A. R.; Kiselev, E. A.; Zakharov, D. M.; Cherepanov, V. A.

2017-10-01

The total conductivity, Seebeck coefficient and oxygen non-stoichiometry for La1.2Sr0.8Ni0.9Fe0.1O4+δ have been measured vs temperature and oxygen partial pressure P(O2). The measurements were carried out at 800, 850, 900 and 950 °C within the P(O2) range of 10-5-0.21 atm. La1.2Sr0.8Ni0.9Fe0.1O4+δ was shown to be oxygen deficient in all temperature and P(O2) ranges studied. The calculated values of the partial molar enthalpy of oxygen depend very slightly on oxygen content (δ), indicating that La1.2Sr0.8Ni0.9Fe0.1O4+δ with the oxygen deficiency can be considered an ideal solution. The model of point defect equilibria in La1.2Sr0.8Ni0.9Fe0.1O4+δ has been proposed and fitted to experimental dependencies. Subsequent joint analysis of the defect structure and transport properties revealed that electron holes can coexist in both localized and quasi-delocalized states in the oxide: the former corresponded to high-spin state Ni3+ and the latter - to low-spin state Ni3+. The mobilities of localized electron holes were shown to be significantly lower in comparison to quasi-delocalized ones. The behavior of localized electron holes was explained in terms of a small polaron conduction mechanism; in contrast, quasi-delocalized electron holes were described in terms of a band conduction approach. The small polaron conduction mechanism was shown to be predominant in the Sr- and Fe-co-doped lanthanum nickelate.

Early vertebrate origin and diversification of small transmembrane regulators of cellular ion transport.

Science.gov (United States)

Pirkmajer, Sergej; Kirchner, Henriette; Lundell, Leonidas S; Zelenin, Pavel V; Zierath, Juleen R; Makarova, Kira S; Wolf, Yuri I; Chibalin, Alexander V

2017-07-15

Small transmembrane proteins such as FXYDs, which interact with Na + ,K + -ATPase, and the micropeptides that interact with sarco/endoplasmic reticulum Ca 2+ -ATPase play fundamental roles in regulation of ion transport in vertebrates. Uncertain evolutionary origins and phylogenetic relationships among these regulators of ion transport have led to inconsistencies in their classification across vertebrate species, thus hampering comparative studies of their functions. We discovered the first FXYD homologue in sea lamprey, a basal jawless vertebrate, which suggests small transmembrane regulators of ion transport emerged early in the vertebrate lineage. We also identified 13 gene subfamilies of FXYDs and propose a revised, phylogeny-based FXYD classification that is consistent across vertebrate species. These findings provide an improved framework for investigating physiological and pathophysiological functions of small transmembrane regulators of ion transport. Small transmembrane proteins are important for regulation of cellular ion transport. The most prominent among these are members of the FXYD family (FXYD1-12), which regulate Na + ,K + -ATPase, and phospholamban, sarcolipin, myoregulin and DWORF, which regulate the sarco/endoplasmic reticulum Ca 2+ -ATPase (SERCA). FXYDs and regulators of SERCA are present in fishes, as well as terrestrial vertebrates; however, their evolutionary origins and phylogenetic relationships are obscure, thus hampering comparative physiological studies. Here we discovered that sea lamprey (Petromyzon marinus), a representative of extant jawless vertebrates (Cyclostomata), expresses an FXYD homologue, which strongly suggests that FXYDs predate the emergence of fishes and other jawed vertebrates (Gnathostomata). Using a combination of sequence-based phylogenetic analysis and conservation of local chromosome context, we determined that FXYDs markedly diversified in the lineages leading to cartilaginous fishes (Chondrichthyes) and bony

Carrier transport in amorphous silicon utilizing picosecond photoconductivity

Science.gov (United States)

Johnson, A. M.

1981-08-01

The development of a high-speed electronic measurement capability permitted the direct observation of the transient photoresponse of amorphous silicon (a-Si) with a time resolution of approximately 10ps. This technique was used to measure the initial mobility of photogenerated (2.1eV) free carriers in three types of a-Si having widely different densities of structural defects (i.e., as prepared by: (1) RF glow discharge (a-Si:H); (2) chemical vapor deposition; and (3) evaporation in ultra-high vacuum). In all three types of a-Si, the same initial mobility of approximately 1 cu cm/Vs at room temperature was found. This result tends to confirm the often-made suggestion that the free carrier mobility is determined by the influence of shallow states associated with the disorder in the random atomic network, and is an intrinsic property of a-Si which is unaffected by the method of preparation. The rate of decay of the photocurrent correlates with the density of structural defects and varies from 4ps to 200ps for the three types of a-Si investigated. The initial mobility of a-Si:H was found to be thermally activated. The possible application of extended state transport controlled by multiple trapping and small polaron formation is discussed.

Optimizing sealed transports of small ornamental fish

Directory of Open Access Journals (Sweden)

Rui Esteves da Silva

2014-06-01

Full Text Available This is a report on multiple simulated long-term transports of small ornamental fish inside plastic bags. The species involved were Diplodus sargus, Gobius paganellus, Gobiusculus flavescens, Lepadogaster lepadogaster and Lipophrys pholis. The objective of such simulations was moving the maximum bioload possible while ensuring 100% survivorship, ultimately resulting in savings for the end-receiver. Transports were simulated over 24, 48 and 72 hours, with increasing animal bioloads per bag. Half of the trials were performed with “regular” saltwater while the other half involved seawater buffered with Amquel ®, sodium carbonate and sodium bicarbonate, with the objective of keeping ammonia low and pH similar to initial baseline values. At the end of each trial, temperature, dissolved oxygen, pH and ammonia were analized and the survival rate calculated and recorded. L. lepadogaster endured the highest bioloads at 100% survivorship (i.e. up to 30 g / L, which is not surprising given the intertidal nature of this species. D. sargus exhibited mortalities with bioloads as low as 3,23 g / L, which echoes its predominantly pelagic nature and relatively lesser ability to endure confinement. The three remaining species showed varying degrees of tolerance to increasing bioloads in transport: L. pholis, also an intertidal species, handled up to 20 g/L over 72 hours, while G. paganellus handled up to 7 g/L over 72 hours, and G. flavescens (a predominantly pelagic species could deal with no more than 6 g/L up to 72 hours.

Structure and transport properties of coherently strained La{sub 2/3}Ca{sub 1/3}MnO{sub 3}/SrTiO{sub 3} superlattices

Energy Technology Data Exchange (ETDEWEB)

Lu, Yafeng [Walther-Meissner-Institut, Bayerische Akademie der Wissenschaften, Walther-Meissner Str. 8, 85748 Garching (Germany); Northwest Institute for Nonferrous Metal Research, P.O. Box 51, Xi' an, Shaanxi 710016 (China); Klein, J.; Herbstritt, F.; Philipp, J.B.; Marx, A.; Alff, L.; Gross, R. [Walther-Meissner-Institut, Bayerische Akademie der Wissenschaften, Walther-Meissner Str. 8, 85748 Garching (Germany); Zhang, H. [Engineering Center of Electronic Information Materials and Devices, University of Electronic Science and Technology of China, Chengdu, Sichuan 610054 (China)

2005-07-01

We have prepared high quality, coherently strained La{sub 2/3}Ca{sub 1/3}MnO{sub 3}/SrTiO{sub 3} superlattices with different modulation periods by laser molecular beam epitaxy on (001) SrTiO{sub 3} and NdGaO{sub 3} substrates. A detailed structural characterization was performed by high-angle X-ray diffraction (HAXRD) and low-angle X-ray reflectivity (LAXRR). All superlattices are very flat, show excellent structural coherence and very small mosaic spread (0.02 ). The in-plane coherency strain was varied by changing the thickness ratio of the constituent layers allowing for a systematic variation of the resulting tetragonal distortion of LCMO. The c-axis lattice parameter of LCMO could be continuously changed from 3.87 Aa to 3.79 Aa. The interface roughness was analyzed by offset low-angle X-ray reflectivity and low-angle rocking curve measurements. It was found to be of the order of one unit cell with a significant part of the roughness being vertically correlated. The strain induced tetragonal distortion of LCMO was found to cause strong reduction of the paramagnetic to ferromagnetic transition temperature from about 260 to 120 K and an increase of resistivity. The transport properties in the paramagnetic regime could be well described by a small polaron hopping model. The lattice distortions were found to result in a significant increase of the polaron trapping energy. Our results show that coherently strain superlattices are an interesting model system for the systematic study of the effect of lattice distortions on the magnetic and electronic properties of the doped manganites. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Small Aircraft Transportation System Higher Volume Operations Concept

Science.gov (United States)

Abbott, Terence S.; Consiglio, Maria C.; Baxley, Brian T.; Williams, Daniel M.; Jones, Kenneth M.; Adams, Catherine A.

2006-01-01

This document defines the Small Aircraft Transportation System (SATS) Higher Volume Operations concept. The general philosophy underlying this concept is the establishment of a newly defined area of flight operations called a Self-Controlled Area (SCA). Within the SCA, pilots would take responsibility for separation assurance between their aircraft and other similarly equipped aircraft. This document also provides details for a number of off-nominal and emergency procedures which address situations that could be expected to occur in a future SCA. The details for this operational concept along with a description of candidate aircraft systems to support this concept are provided.

Three-dimensional hole transport in nickel oxide by alloying with MgO or ZnO

Science.gov (United States)

Alidoust, Nima; Carter, Emily A.

2015-11-01

It has been shown previously that the movement of a hole in nickel oxide is confined to two dimensions, along a single ferromagnetic plane. Such confinement may hamper hole transport when NiO is used as a p-type transparent conductor in various solar energy conversion technologies. Here, we use the small polaron model, along with unrestricted Hartree-Fock and complete active space self-consistent field calculations to show that forming substitutional MxNi1-xO alloys with M = Mg or Zn reduces the barrier for movement of a hole away from the ferromagnetic plane to which it is confined. Such reduction occurs for hole transfer alongside one or two M ions that have been substituted for Ni ions. Furthermore, the Mg and Zn ions do not trap holes on O sites in their vicinity, and NiO's transparency is preserved upon forming the alloys. Thus, forming MxNi1-xO alloys with M = Mg or Zn may enhance NiO's potential as a p-type transparent conducting oxide, by disrupting the two-dimensional confinement of holes in pure NiO.

Electromagnetic fields in small systems from a multiphase transport model

Science.gov (United States)

Zhao, Xin-Li; Ma, Yu-Gang; Ma, Guo-Liang

2018-02-01

We calculate the electromagnetic fields generated in small systems by using a multiphase transport (AMPT) model. Compared to A +A collisions, we find that the absolute electric and magnetic fields are not small in p +Au and d +Au collisions at energies available at the BNL Relativistic Heavy Ion Collider and in p +Pb collisions at energies available at the CERN Large Hadron Collider. We study the centrality dependencies and the spatial distributions of electromagnetic fields. We further investigate the azimuthal fluctuations of the magnetic field and its correlation with the fluctuating geometry using event-by-event simulations. We find that the azimuthal correlation 〈" close="〉cos(ϕα+ϕβ-2 ΨRP)〉">cos2 (ΨB-Ψ2) between the magnetic field direction and the second-harmonic participant plane is almost zero in small systems with high multiplicities, but not in those with low multiplicities. This indicates that the charge azimuthal correlation is not a valid probe to study the chiral magnetic effect (CME) in small systems with high multiplicities. However, we suggest searching for possible CME effects in small systems with low multiplicities.

Muonium formation via charge transport in solids and liquids

International Nuclear Information System (INIS)

Storchak, Vyacheslav G.; Brewer, Jess H.; Cox, Stephen F.J.

1997-01-01

We review our recent experimental studies on delayed muonium formation in insulators and semiconductors. This involves the positive muon capturing one of the excess electrons liberated in its own ionization track and competes with recombination or escape of the electrons. The muon is generally found to thermalise well 'downstream' from the center of the electron distribution, so that the transport mechanism of the electrons is a crucial factor. This is discussed in terms of the different tendencies to localization (as polarons in solids or in bubbles in liquids) vs. band-like propagation. Studies of Van der Waals cryocrystals and cryoliquids are reviewed and some preliminary results reported for sapphire and silicon. Transport distances and times are determined from the variation of μSR signal amplitudes with applied electric and magnetic fields, respectively, enabling the development of a new technique for measuring electron mobilities on a microscopic scale

Ba doped Fe3O4 nanocrystals: Magnetic field and temperature tuning dielectric and electrical transport

Science.gov (United States)

Dutta, Papia; Mandal, S. K.; Nath, A.

2018-05-01

Nanocrystalline BaFe2O4 has been prepared through low temperature pyrophoric reaction method. The structural, dielectric and electrical transport properties of BaFe2O4 are investigated in detail. AC electrical properties have been studied over the wide range of frequencies with applied dc magnetic fields and temperatures. The value of impedance is found to increase with increase in magnetic field attributing the magnetostriction property of the sample. The observed value of magneto-impedance and magnetodielectric is found to ∼32% and ∼33% at room temperature. Nyquist plots have been fitted using resistance-capacitor circuits at different magnetic fields and temperatures showing the dominant role of grain and grain boundaries of the sample. Metal-semiconductor transition ∼403 K has been discussed in terms of delocalized and localized charge carrier.We have estimated activation energy using Arrhenius relation indicating temperature dependent electrical relaxation process in the system. Ac conductivity follow a Jonscher’s single power law indicating the large and small polaronic hopping conduction mechanism in the system.

The pairing theory of polarons in real- and impulse spaces

International Nuclear Information System (INIS)

Dzhumanov, S.; Abboudy, S.; Baratov, A.A.

1995-07-01

A consistent pairing theory of carriers in real- and impulse spaces is developed. The pairing of different free (F), delocalized (D) and self-trapped (S) carriers in real-space, leading to the formation of various bipolaronic states are considered within the continuum model and adiabatic approximation taking into account the combined effect of the short- and long-range components of electron-lattice interaction with and without electron correlation. The formation possibility of D- and S-bipolarons as a function of ε ∞ /ε 0 are shown. The pairing scenarios of carriers in k-space leading to the formation of different bipolarons (including also Cooper pairs dynamic bipolarons) are considered within the generalized BCS-like model taking into account the combined phonon and polaron-bag mediated processes. It is shown that the pure BCS pairing picture is the particular case of the general BCS-like one. The possible relevance of the obtained results to high-T c superconductors is discussed in details in the framework of a novel two-stage Fermi-Bose-liquid scenarios of superconductivity which is caused by single particle and pair condensation of an attracting bipolarons. (author). 51 refs, 6 figs

Excitonic polarons in quasi-one-dimensional LH1 and LH2 bacteriochlorophyll a antenna aggregates from photosynthetic bacteria: A wavelength-dependent selective spectroscopy study

International Nuclear Information System (INIS)

Freiberg, Arvi; Raetsep, Margus; Timpmann, Kou; Trinkunas, Gediminas

2009-01-01

Spectral characteristics of the optically excited states in the ring-shaped quasi-one-dimensional aggregates comprising 18 and 32 tightly coupled bacteriochlorophyll a molecules have been investigated using selective spectroscopy methods and theoretical modelling of the data. Distinguished by the lowest electronic transition energies in the LH2 and LH1 antenna complexes these aggregates govern the functionally important ultrafast funneling of solar excitation energy in the photosynthetic membranes of purple bacteria. It was found by using a sophisticated differential fluorescence line narrowing method that exciton-phonon coupling in terms of the dimensionless Huang-Rhys factor is strong in these systems, justifying an excitonic polaron theoretical approach for the data analysis. Although we reached this qualitative conclusion already previously, in this work essential dependence of the exciton-phonon coupling strength and reorganization energy on excitation wavelength as well as on excitation light fluence has been established. We then show that these results corroborate with the properties of excitonic polarons in diagonally disordered ensembles of the aggregates. Furthermore, the weighted density of states of the phonon modes, which is an important characteristic of dynamical systems interacting with their surroundings, was derived. Its shape, being similar for all studied circular aggregates, deviates significantly from a reference profile describing local response of a protein to the Q y electronic transition in a single bacteriochlorophyll a molecule. Similarities of the data for regular and B800 deficient mutant LH2 complexes indicate that the B800 pigments have no direct influence on the electronic states of the B850 aggregate system. Consistent set of model parameters was determined, unambiguously implying that excitonic polarons, rather than bare excitons are proper lowest-energy optical excitations in the LH1 and LH2 antenna complexes

Excitonic polarons in quasi-one-dimensional LH1 and LH2 bacteriochlorophyll a antenna aggregates from photosynthetic bacteria: A wavelength-dependent selective spectroscopy study

Energy Technology Data Exchange (ETDEWEB)

Freiberg, Arvi [Institute of Physics, University of Tartu, Riia 142, 51014 Tartu (Estonia); Institute of Molecular and Cell Biology, University of Tartu, Riia 23, 51010 Tartu (Estonia)], E-mail: arvi.freiberg@ut.ee; Raetsep, Margus; Timpmann, Kou [Institute of Physics, University of Tartu, Riia 142, 51014 Tartu (Estonia); Trinkunas, Gediminas [Insitute of Physics, Savanoriu pr. 231, LT-02300 Vilnius (Lithuania)

2009-02-23

Spectral characteristics of the optically excited states in the ring-shaped quasi-one-dimensional aggregates comprising 18 and 32 tightly coupled bacteriochlorophyll a molecules have been investigated using selective spectroscopy methods and theoretical modelling of the data. Distinguished by the lowest electronic transition energies in the LH2 and LH1 antenna complexes these aggregates govern the functionally important ultrafast funneling of solar excitation energy in the photosynthetic membranes of purple bacteria. It was found by using a sophisticated differential fluorescence line narrowing method that exciton-phonon coupling in terms of the dimensionless Huang-Rhys factor is strong in these systems, justifying an excitonic polaron theoretical approach for the data analysis. Although we reached this qualitative conclusion already previously, in this work essential dependence of the exciton-phonon coupling strength and reorganization energy on excitation wavelength as well as on excitation light fluence has been established. We then show that these results corroborate with the properties of excitonic polarons in diagonally disordered ensembles of the aggregates. Furthermore, the weighted density of states of the phonon modes, which is an important characteristic of dynamical systems interacting with their surroundings, was derived. Its shape, being similar for all studied circular aggregates, deviates significantly from a reference profile describing local response of a protein to the Q{sub y} electronic transition in a single bacteriochlorophyll a molecule. Similarities of the data for regular and B800 deficient mutant LH2 complexes indicate that the B800 pigments have no direct influence on the electronic states of the B850 aggregate system. Consistent set of model parameters was determined, unambiguously implying that excitonic polarons, rather than bare excitons are proper lowest-energy optical excitations in the LH1 and LH2 antenna complexes.

A Density Functional Theory Study of the Ionic and Electronic Transport Mechanisms in LiFeBO3 Battery Electrodes

DEFF Research Database (Denmark)

Loftager, Simon; García Lastra, Juan Maria; Vegge, Tejs

2016-01-01

electrochemical effects can be explained by an intrinsically low Li-ion and electron/hole-polaron mobility in Li0.5FeBO3 due to high activation barriers for both the ionic and electronic transport. These studies include the effects of the experimentally reported commensurate modulation. We have also investigated...... with the formation of intermediate phases is linked to the intrinsically poor properties of the Li0.5FeBO3 phase rather than to the presence of interfaces between different phases....

The role of deep acceptor centers in the oxidation of acceptor-doped wide-band-gap perovskites ABO{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Putilov, L.P., E-mail: lev.putilov@gmail.com; Tsidilkovski, V.I.

2017-03-15

The impact of deep acceptor centers on defect thermodynamics and oxidation of wide-band-gap acceptor-doped perovskites without mixed-valence cations is studied. These deep centers are formed by the acceptor-bound small hole polarons whose stabilization energy can be high enough (significantly higher than the hole-acceptor Coulomb interaction energy). It is shown that the oxidation enthalpy ΔH{sub ox} of oxide is determined by the energy ε{sub A} of acceptor-bound states along with the formation energy E{sub V} of oxygen vacancies. The oxidation reaction is demonstrated to be either endothermic or exothermic, and the regions of ε{sub A} and E{sub V} values corresponding to the positive or negative ΔH{sub ox} are determined. The contribution of acceptor-bound holes to the defect thermodynamics strongly depends on the acceptor states depth ε{sub A}: it becomes negligible at ε{sub A} less than a certain value (at which the acceptor levels are still deep). With increasing ε{sub A}, the concentration of acceptor-bound small hole polarons can reach the values comparable to the dopant content. The results are illustrated with the acceptor-doped BaZrO{sub 3} as an example. It is shown that the experimental data on the bulk hole conductivity of barium zirconate can be described both in the band transport model and in the model of hopping small polarons localized on oxygen ions away from the acceptor centers. Depending on the ε{sub A} magnitude, the oxidation reaction can be either endothermic or exothermic for both mobility mechanisms.

Monte Carlo tests of small-world architecture for coarse-grained networks of the United States railroad and highway transportation systems

Science.gov (United States)

Aldrich, Preston R.; El-Zabet, Jermeen; Hassan, Seerat; Briguglio, Joseph; Aliaj, Enela; Radcliffe, Maria; Mirza, Taha; Comar, Timothy; Nadolski, Jeremy; Huebner, Cynthia D.

2015-11-01

Several studies have shown that human transportation networks exhibit small-world structure, meaning they have high local clustering and are easily traversed. However, some have concluded this without statistical evaluations, and others have compared observed structure to globally random rather than planar models. Here, we use Monte Carlo randomizations to test US transportation infrastructure data for small-worldness. Coarse-grained network models were generated from GIS data wherein nodes represent the 3105 contiguous US counties and weighted edges represent the number of highway or railroad links between counties; thus, we focus on linkage topologies and not geodesic distances. We compared railroad and highway transportation networks with a simple planar network based on county edge-sharing, and with networks that were globally randomized and those that were randomized while preserving their planarity. We conclude that terrestrial transportation networks have small-world architecture, as it is classically defined relative to global randomizations. However, this topological structure is sufficiently explained by the planarity of the graphs, and in fact the topological patterns established by the transportation links actually serve to reduce the amount of small-world structure.

Electrical transport and giant magnetoresistance in La{sub 0.62}Er{sub 0.05}Ba{sub 0.33}Fe{sub x}Mn{sub 1−x}O{sub 3} (x = 0.00, and 0.15) manganites

Energy Technology Data Exchange (ETDEWEB)

Abassi, Mounira, E-mail: manoura881@outlook.fr [Laboratoire de la Matière Condensée et des Nanosciences, Département de Physique, Faculté des Sciences de Monastir, 5019 (Tunisia); Mohamed, Za; Dhahri, J. [Laboratoire de la Matière Condensée et des Nanosciences, Département de Physique, Faculté des Sciences de Monastir, 5019 (Tunisia); Hlil, E.K. [Institut Néel, CNRS et Université Joseph Fourier, BP 166, F-38042 Grenoble cedex 9 (France)

2015-08-05

Highlights: • The samples exhibit PM–FM phase transition. • The electrical transport is investigated. • Low temperature minimum resistivity is observed. - Abstract: We have investigated the influence of fer (Fe) doping on the magneto-electrical properties of polycrystalline samples La{sub 0.62}Er{sub 0.05}Ba{sub 0.33}Fe{sub x}Mn{sub 1−x}O{sub 3} (x = 0.00, 0.10 and 0.15), prepared through conventional solid state ceramics route. Comparison of experimental data with the theoretical models shows that in the metal–ferromagnetic region, the electrical behavior of the three samples is quite well described by a theory based on electron–phonon, electron–electron, electron–magnon and Kondo-like spin dependent scattering. For the high temperature paramagnetic insulating regime, the adiabatic small polaron hopping (SPH) model is found to fit well the experimental curves.

The analysis by several neutron transport methods of a small PWR model problem

International Nuclear Information System (INIS)

Halsall, M.J.

1980-09-01

A small model problem in x-y co-ordinate geometry is specified in detail to permit readers to make their own calculations. The problem is analysed using diffusion theory, differential and integral transport methods and a Monte Carlo code, and a best estimate eigenvalue is deduced. (author)

Polaronic and bipolaronic structures in the adiabatic Hubbard-Hostein model involving 2 electrons and in its extensions; Structures polaroniques et bipolaroniques dans le modele de hostein hubbard adiabatique a deux electrons et ses extensions

Energy Technology Data Exchange (ETDEWEB)

Proville, L

1998-03-30

This thesis brings its contribution to the bipolaronic theory which might explain the origin of superconductivity at high temperature. A polaron is a quasiparticle made up of a localized electron and a deformation in the crystal structure. 2 electrons in singlet states localized on the same site form a bipolaron. Whenever the Coulomb repulsion between the 2 electrons is too strong bipolaron turns into 2 no bound polarons. We study the existence and the mobility of bipolarons. We describe the electron-phonon interaction by the Holstein term and the Coulomb repulsion by the Hubbard term. 2 assumptions are made: - the local electron-phonon interaction is strong and opposes the Coulomb repulsion between Hubbard type electrons - the system is close to the adiabatic limit. The system is reduced to 2 electrons in order to allow an exact treatment and the investigation of some bipolaronic bound states. At 2-dimensions the existence of bipolarons requires a very strong coupling which forbids any classical mobility. In some cases an important tunneling effect appears and we show that mobile bipolarons exist in a particular parameter range. Near the adiabatic limit we prove that polaronic and bipolaronic structures exist for a great number of electrons. (A.C.) 33 refs.

Redirected charge transport arising from diazonium grafting of carbon coated LiFePO4.

Science.gov (United States)

Madec, L; Seid, K A; Badot, J-C; Humbert, B; Moreau, P; Dubrunfaut, O; Lestriez, B; Guyomard, D; Gaubicher, J

2014-11-07

The morphological and the electrical properties of carbon coated LiFePO4 (LFPC) active material functionalized by 4-ethynylbenzene tetrafluoroboratediazonium salt were investigated. For this purpose, FTIR, Raman, XPS, High Resolution Transmission Electron Microscopy (HRTEM) and Broadband Dielectric Spectroscopy (BDS) were considered. Electronic conductivities of LFPC samples at room temperature were found to decrease in a large frequency range upon simple immersion in polar solvents and to decrease further upon functionalization. Due to their high dipole moment, strongly physisorbed molecules detected by XPS likely add barriers to electron hopping. Significant alteration of the carbon coating conductivity was only observed, however, upon functionalization. This effect is most presumably associated with an increase in the sp(3) content determined by Raman spectroscopy, which is a strong indication of the formation of a covalent bond between the organic layer and the carbon coating. In this case, the electron flux appears to be redirected and relayed by short-range (intra chain) and long-range (inter chain) electron transport through molecular oligomers anchored at the LFPC surface. The latter are controlled by tunnelling and slightly activated hopping, which enable higher conductivity at low temperature (T < 250 K). Alteration of the electron transport within the carbon coating also allows detection of a relaxation phenomenon that corresponds to small polaron hopping in bulk LiFePO4. XPS and HRTEM images allow a clear correlation of these findings with the island type oligomeric structure of grafted molecules.

Reentrant behavior in Cr doped bilayer manganite LaSr{sub 2}Mn{sub 2}O{sub 7}

Energy Technology Data Exchange (ETDEWEB)

Bhatia, S.N., E-mail: snbhatia@phy.iitb.ac.in; Mohapatra, Niharika

2017-07-15

Highlights: • The FM and the AFM states merge into each other thereby creating an inhomogeneous state. • Cr{sup 3+} creates ferromagnetic moments which behave like FM relaxors. • Electric conduction takes via hopping of small polaron and not by variable range hopping of these polarons. - Abstract: We have studied the effect of replacing Mn{sup 3+} by Cr{sup 3+} on the structure, transport and magnetism in the bilayered manganite LaSr{sub 2}Mn{sub 2}O{sub 7}. Although no structural transition was observed in LaSr{sub 2}Mn{sub 2−y}Cr{sub y}O{sub 7} (0.1 ≤ y ≤ 0.6), the electrical transport and the magnetic properties were found to be affected significantly by this substitution. Substitution of Cr{sup 3+} reduces the conductivity by restricting the hopping of small polarons. Magnetization increases with increasing Cr{sup 3+} concentration suggesting that Cr{sup 3+}-ions induce ferromagnetic moments. The ferromagnetic and an antiferromagnetic phase observed above ∼60 K merge into an inhomogeneous phase below this temperature. Thermopower yields an essentially concentration independent charge density nearly equal to its value for chromium free composition inspite of its expected decrease with this substitution suggesting that the small charge density of the insulating AFM phase is supplemented by the free carriers in the FM phase. The inhomogeneous phase shows a relaxor type behavior which contrasts with the spin glass behavior seen in La{sub 0.46}Sr{sub 0.54}Mn{sub 0.98}Cr{sub 0.02}O{sub 3} having an identical AFM magnetic state. The difference is attributed to the non-JT character of Cr-ions which reduce the distortion of the Mn−O octahedra located within the FM domains. With a higher lattice strain in the surrounding AFM matrix the carriers remain confined within the FM domains leading to the relaxor type behavior.

Small Aircraft Transportation System, Higher Volume Operations Concept: Normal Operations

Science.gov (United States)

Abbott, Terence S.; Jones, Kenneth M.; Consiglio, Maria C.; Williams, Daniel M.; Adams, Catherine A.

2004-01-01

This document defines the Small Aircraft Transportation System (SATS), Higher Volume Operations (HVO) concept for normal conditions. In this concept, a block of airspace would be established around designated non-towered, non-radar airports during periods of poor weather. Within this new airspace, pilots would take responsibility for separation assurance between their aircraft and other similarly equipped aircraft. Using onboard equipment and procedures, they would then approach and land at the airport. Departures would be handled in a similar fashion. The details for this operational concept are provided in this document.

Shock absorbing evaluation of the rigid polyurethane foam and styrofoam applied to a small transportation package

International Nuclear Information System (INIS)

Seo, K.S.; Lee, J.C.; Bang, K.S.; Han, H.S.; Chung, S.H.; Choi, B.I.; Ha, J.H.

2004-01-01

The package design objectives for the drop condition are to maintain the integrity of the structural material by reducing the impact force. There are two kinds of the shock absorbing materials such as rigid polyurethane foam (PU) and Styrofoam (EPS: Expanded Poly Styrene). These materials are generally used in small transportation packages. The stress-strain curves were obtained by the compression tests until the PU and EPS reached their lock-up strain. This paper describes that, in the case of a small transportation package of a cylindrical shape, the shock absorbing effects were evaluated by utilizing the compression properties of the PU and EPS foam

Small-sized linear accelerator of 2.5 MeV electrons with a local radiation shield for custom examination of freight transported by motor transport

International Nuclear Information System (INIS)

Baklanov, A.V.; Gavrish, Yu.N.; Klinov, A.P.; Krest'yaninov, A.S.; Nikolaev, V.M.; Fomin, L.P.; Linkenbach, H.A.; Geus, G.; Knospel, W.

2001-01-01

A new development of a small-sized linear accelerator of 2.5 MeV electrons with a local radiation protection is described. The accelerator is intended for movable facilities of radiation custom of the freight transported by motor transport. Main constructive solutions, mass and dimension characteristics and results of preliminary tests of the accelerator parameters and characteristics of radiation protection are presented [ru

Accessible switching of electronic defect type in SrTi O3 via biaxial strain

Science.gov (United States)

Chi, Yen-Ting; Youssef, Mostafa; Sun, Lixin; Van Vliet, Krystyn J.; Yildiz, Bilge

2018-05-01

Elastic strain is used widely to alter the mobility of free electronic carriers in semiconductors, but a predictive relationship between elastic lattice strain and the extent of charge localization of electronic defects is still underdeveloped. Here we considered SrTi O3 , a prototypical perovskite as a model functional oxide for thin film electronic devices and nonvolatile memories. We assessed the effects of biaxial strain on the stability of electronic defects at finite temperature by combining density functional theory (DFT) and quasiharmonic approximation (QHA) calculations. We constructed a predominance diagram for free electrons and small electron polarons in this material, as a function of biaxial strain and temperature. We found that biaxial tensile strain in SrTi O3 can stabilize the small polaron, leading to a thermally activated and slower electronic transport, consistent with prior experimental observations on SrTi O3 and distinct from our prior theoretical assessment of the response of SrTi O3 to hydrostatic stress. These findings also resolved apparent conflicts between prior atomistic simulations and conductivity experiments for biaxially strained SrTi O3 thin films. Our computational approach can be extended to other functional oxides, and for the case of SrTi O3 our findings provide concrete guidance for conditions under which strain engineering can shift the electronic defect type and concentration to modulate electronic transport in thin films.

Formation of spin-polarons in the ferromagnetic Kondo lattice model away from half-filling

International Nuclear Information System (INIS)

Arredondo, Y; Navarro, O; Vallejo, E; Avignon, M

2012-01-01

Even though realistic one-dimensional experiments in the field of half-metallic semiconductors are not at hand yet, we are interested in the underlying fundamental physics. In this regard we study a one-dimensional ferromagnetic Kondo lattice model, a model in which a conduction band is coupled ferromagnetically to a background of localized d moments with coupling constant J H , and investigate the T = 0 phase diagram as a function of the antiferromagnetic interaction J between the localized moments and the band-filling n, since it has been observed that doping of the compounds has led to formation of magnetic domains. We explore the spin-polaron formation by looking at the nearest-neighbour correlation functions in the spin and charge regimes for which we use the density matrix renormalization group method, which is a highly efficient method to investigate quasi-one-dimensional strongly correlated systems. (paper)

Human Enteroids as a Model of Upper Small Intestinal Ion Transport Physiology and Pathophysiology

NARCIS (Netherlands)

J. Foulke-Abel (Jennifer); J. In (Julie); Yin, J. (Jianyi); N.C. Zachos (Nicholas C.); O. Kovbasnjuk (Olga); M.K. Estes (Mary K.); H.R. de Jonge (Hugo); M. Donowitz (Mark)

2016-01-01

textabstractBackground & Aims Human intestinal crypt-derived enteroids are a model of intestinal ion transport that require validation by comparison with cell culture and animal models. We used human small intestinal enteroids to study neutral Na+ absorption and stimulated fluid and anion secretion

Small Molecule Membrane Transporters in the Mammalian Podocyte: A Pathogenic and Therapeutic Target

Directory of Open Access Journals (Sweden)

Cristina Zennaro

2014-11-01

Full Text Available The intriguingly complex glomerular podocyte has been a recent object of intense study. Researchers have sought to understand its role in the pathogenesis of common proteinuric diseases such as minimal change disease and focal segmental glomerular sclerosis. In particular, considerable effort has been directed towards the anatomic and functional barrier to macromolecular filtration provided by the secondary foot processes, but little attention has been paid to the potential of podocytes to handle plasma proteins beyond the specialization of the slit diaphragm. Renal membrane transporters in the proximal tubule have been extensively studied for decades, particularly in relation to drug metabolism and elimination. Recently, uptake and efflux transporters for small organic molecules have also been found in the glomerular podocyte, and we and others have found that these transporters can engage not only common pharmaceuticals but also injurious endogenous and exogenous agents. We have also found that the activity of podocyte transporters can be manipulated to inhibit pathogen uptake and efflux. It is conceivable that podocyte transporters may play a role in disease pathogenesis and may be a target for future drug development.

Polaronic effects on the off-center donor impurity in AlAs/GaAs/SiO2 spherical core/shell quantum dots

Science.gov (United States)

El Haouari, M.; Feddi, E.; Dujardin, F.; Restrepo, R. L.; Mora-Ramos, M. E.; Duque, C. A.

2017-11-01

The ground state of a conduction electron coupled to an off-center impurity donor in a AlAS/GaAs spherical core/shell quantum dot is investigated theoretically. The image-charge effect and the influence of the electron-polar-LO-phonon interaction are considered. The electron-impurity binding energy is calculated via a variational procedure and is reported both as a function of the shell width and of the radial position of the donor atom. The polaronic effects on this quantity are particularly discussed.

The Small Aircraft Transportation System for America: A Case in Public Infrastructure Change

Science.gov (United States)

Bowen, Brent D.

2000-01-01

The National Aeronautics and Space Administration (NASA), U.S. Department of Transportation, Federal Aviation Administration, industry stakeholders, and academia, have joined forces to pursue the NASA National General Aviation Roadmap leading to a Small Aircraft Transportation System (SATS). This strategic undertaking has a 25-year goal to bring next-generation technologies and improve travel between remote communities and transportation centers in urban areas by utilizing the nation's 5,400 public-use general aviation airports. To facilitate this initiative, a comprehensive upgrade of public infrastructure must be planned, coordinated, and implemented within the framework of the national air transportation system. The Nebraska NASA EPSCoR Program has proposed to deliver research support in key public infrastructure areas in coordination with the General Aviation Program Office at the NASA Langley Research Center. Ultimately, SATS may permit tripling aviation system throughput capacity by tapping the underutilized general aviation facilities to achieve the national goal of doorstep-to-destination travel at four times the speed of highways for the nation's suburban, rural, and remote communities.

Double and super-exchange model in one-dimensional systems

International Nuclear Information System (INIS)

Vallejo, E.; Navarro, O.; Avignon, M.

2010-01-01

We present an analytical and numerical study of the competition between double and super-exchange interactions in a one-dimensional model. For low super-exchange interaction energy we find phase separation between ferromagnetic and anti-ferromagnetic phases. When the super-exchange interaction energy gets larger, the conduction electrons are self-trapped within separate small magnetic polarons. These magnetic polarons contain a single electron inside two or three sites depending on the conduction electron density and form a Wigner crystallization. A new phase separation is found between these small polarons and the anti-ferromagnetic phase. Spin-glass behavior is obtained consistent with experimental results of the nickelate one-dimensional compound Y 2-x Ca x BaNiO 5 .

Magnetic, Electrical Transport and Impedance Spectroscopy Studies on Ti Substituted La0.67Sr0.33MnO3 Ceramics

International Nuclear Information System (INIS)

Zalita, Z.; Halim, S.A.; Lim, K.P.; Talib, Z.A.; Hishamuddin, Z.; Walter, C.P.

2009-01-01

La 0.67 Sr 0.33 Mn 1-x Ti x O 3 samples with x = 0.0, 0.2, 0.4 and 0.6 have been prepared using the conventional solid-state reaction method. The structure, magnetic and electrical transport properties as well as the impedance spectroscopy of the samples were investigated. The powder XRD analysis showed that all samples were single phase with rhombohedral perovskite structure. The magnetization curve suggests that the Ti substituted samples exhibit weak ferromagnetic behaviour. The highest magnetoresistance (MR) value was obtained for sample x = 0.2 at temperature 200 K and field 1 T, which was 32.5 %. Low field magnetoresistance (LFMR) effect was observed for the x = 0.0 sample. The metal-like resistivity curve for the x = 0.0 sample was best fitted with ρ = ρo + ρ2T2 equation, indicating the grain boundary effects and electron-electron scattering process contribution. Semiconductor-like transport behaviour was observed for the Ti substituted samples and can be fitted by variable range hopping (VRH) and small polaron hopping (SPH) mechanisms. The activation energy of the samples increased when the Ti composition increased. An equivalent circuit was proposed for the impedance plot with a series of two parallel RC circuits. The grain, grain boundary and electrode resistance values increased with Ti composition due to the reduction of the Mn 3+ / Mn 4+ ratio. (author)

Transportable high sensitivity small sample radiometric calorimeter

International Nuclear Information System (INIS)

Wetzel, J.R.; Biddle, R.S.; Cordova, B.S.; Sampson, T.E.; Dye, H.R.; McDow, J.G.

1998-01-01

A new small-sample, high-sensitivity transportable radiometric calorimeter, which can be operated in different modes, contains an electrical calibration method, and can be used to develop secondary standards, will be described in this presentation. The data taken from preliminary tests will be presented to indicate the precision and accuracy of the instrument. The calorimeter and temperature-controlled bath, at present, require only a 30-in. by 20-in. tabletop area. The calorimeter is operated from a laptop computer system using unique measurement module capable of monitoring all necessary calorimeter signals. The calorimeter can be operated in the normal calorimeter equilibration mode, as a comparison instrument, using twin chambers and an external electrical calibration method. The sample chamber is 0.75 in (1.9 cm) in diameter by 2.5 in. (6.35 cm) long. This size will accommodate most 238 Pu heat standards manufactured in the past. The power range runs from 0.001 W to <20 W. The high end is only limited by sample size

Electromagnetic-field dependence of the internal excited state of the polaron and the qubit in quantum dot with thickness

Science.gov (United States)

Bai, Xu-Fang; Xin, Wei; Yin, Hong-Wu; Eerdunchaolu

2017-06-01

The electromagnetic-field dependence of the ground and the first excited-state (GFES) energy eigenvalues and eigenfunctions of the strong-coupling polaron in a quantum dot (QD) was studied for various QD thicknesses by using the variational method of the Pekar type (VMPT). On this basis, we construct a qubit in the quantum dot (QQD) by taking a two-level structure of the polaron as the carrier. The results of numerical calculations indicate that the oscillation period of the qubit, {itT}{in0}, increases with increasing the thickness of the quantum dot (TQD) {itL}, but decreases with increasing the cyclotron frequency of the magnetic field (CFMF) ω{in{itc}}, electric-field strength {itF}, and electron-phonon coupling strength (EPCS) α. The probability density of the qubit |Ψ({itρ}, {itz}, {itt})|{su2} presents a normal distribution of the electronic transverse coordinate ρ, significantly influenced by the TQD and effective radius of the quantum dot (ERQD) {itR}{in0}, and shows a periodic oscillation with variations in the electronic longitudinal coordinate {itz}, polar angle φ and time {itt}. The decoherence time τ and the quality factor {itQ} of the free rotation increase with increasing the CFMF ω{in{itc}}, dispersion coefficient η, and EPCS α, but decrease with increasing the electric-field strength {itF}, TQD {itL}, and ERQD {itR}{in0}. The TQD is an important parameter of the qubit. Theoretically, the target, which is to regulate the oscillation period, decoherence time and quality factor of the free rotation of the qubit, can be achieved by designing different TQDs and regulating the strength of the electromagnetic field.

Bound magnetic polaron in Zn-rich cobalt-doped ZnSe nanowires

Science.gov (United States)

Hou, Lipeng; Pan, Longfei; Liang, Bianbian; Liu, Yuting; Zhang, Li; Bukhtiar, Arfan; Shi, Lijie; Liu, Ruibin; Zou, Bingsuo

2018-02-01

The micro-luminescence spectra of the diluted magnetic semiconductor (DMS) can reflect the spin-exciton interaction and related relaxation process. Here the micro-photoluminescence (micro-PL) spectra and PL lifetime measurements have been done on an individual ferromagnetic (FM)-coupled cobalt (Co) doped zinc selenide (ZnSe) nanowire. There occurs a double-peak profile in its near bandedge emission spectrum: the first peak is from free exciton (FX) and the second comes from magnetic polaron (MP). In their temperature dependent PL spectra, the MP emission peak demonstrates obviously temperature-independent behavior, in contrast to the behaviors of FX and reported exciton MP in nanobelt. It is found that in this Co(II) doped ZnSe nanowires, this MP’s temperature-independent emission is related to the coupling between exciton and a FM nanocluster (↑↑↓). The nanocluster is likely due to the interaction of Se vacancies of the wide bandgap semiconductors with the antiferromagnetic (AFM) arrangement transition metal (TM) ions in these Se-deficient Co doped ZnSe nanowires. These results reflect that the AFM coupling TM ions pair can give rise to FM behavior with the involvement of positive charge defect, also indicating that the micro-luminescence detection can be used to study the magnetic coupling in DMS.

A disordered polaron model for polarized fluorescence excitation spectra of LH1 and LH2 bacteriochlorophyll antenna aggregates

International Nuclear Information System (INIS)

Trinkunas, Gediminas; Freiberg, Arvi

2006-01-01

Excitonic polarons in antenna complexes are subject to static lattice disorder. A model has been developed to analyze polarized fluorescence excitation spectra of circular light-harvesting complexes from purple photosynthetic bacteria containing bacteriochlorophyll as the main photoactive pigment that includes both diagonal (energetic) and off-diagonal (structural) disorders. Essential differences of disorder realizations seem to exist between the core LH1 and peripheral LH2 complexes from the bacterium Rhodobacter sphaeroides. The disorder in LH1 appears to be dominated by the structural disorder, while that in LH2, by energetic one. These differences may be due to relatively bigger size of the LH1 complex and, consequently, with its enhanced structural flexibility

75 FR 3517 - Notice of Funding Availability for the Small Business Transportation Resource Center Program

Science.gov (United States)

2010-01-21

..., business assessment, management training, counseling, technical assistance, marketing and outreach, and the... necessary to improve the management of their own small business to expand their transportation-related..., bonding assistance, business counseling, management assistance and direct referrals to DOT agencies at the...

The Small-Angle Neutron Scattering Data Analysis of the Phospholipid Transport Nanosystem Structure

Science.gov (United States)

Zemlyanaya, E. V.; Kiselev, M. A.; Zhabitskaya, E. I.; Aksenov, V. L.; Ipatova, O. M.; Ivankov, O. I.

2018-05-01

The small-angle neutron scattering technique (SANS) is employed for investigation of structure of the phospholipid transport nanosystem (PTNS) elaborated in the V.N.Orekhovich Institute of Biomedical Chemistry (Moscow, Russia). The SANS spectra have been measured at the YuMO small-angle spectrometer of IBR-2 reactor (Joint Institute of Nuclear Research, Dubna, Russia). Basic characteristics of polydispersed population of PTNS unilamellar vesicles (average radius of vesicles, polydispersity, thickness of membrane, etc.) have been determined in three cases of the PTNS concentrations in D2O: 5%, 10%, and 25%. Numerical analysis is based on the separated form factors method (SFF). The results are discussed in comparison with the results of analysis of the small-angle X-ray scattering spectra collected at the Kurchatov Synchrotron Radiation Source of the National Research Center “Kurchatov Institute” (Moscow, Russia).

Improved Cost Management at Small and Medium Sized Road Transport Companies: Case Hungary

Directory of Open Access Journals (Sweden)

Zoltan Bokor

2015-10-01

Full Text Available Small and medium sized road freight transport companies located in Hungary are facing strong competition on the logistics market. An advanced cost management system supporting decisions on capacity allocations or pricing may be a competitive advantage for them and indirectly for the whole economy as well. Still, they generally apply simple, traditional cost calculation regimes, potentially sufficient in case of a homogeneous service portfolio. Nevertheless, road haulage companies with heterogeneous service structures may witness information distortions when using traditional costing methods. So it might be recommended for them to introduce better costing principles. To support an improved transport costing, a multi-level full cost allocation model has been set up and tested in this paper. The research results have pointed out that such a methodological development accompanied by the extension of the data collection mechanism can contribute to making the cost management systems of road freight transport companies more effective.

Phonon affected transport through molecular quantum

Czech Academy of Sciences Publication Activity Database

Loos, Jan; Koch, T.; Alvermann, A.; Bishop, A. R.; Fehske, H.

2009-01-01

Roč. 21, č. 39 (2009), 395601/1-395601/18 ISSN 0953-8984 Institutional research plan: CEZ:AV0Z10100521 Keywords : quantum dots * electron - phonon interaction * polarons Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.964, year: 2009

Suppression of roll-off characteristics of organic light-emitting diodes by narrowing current injection/transport area to 50 nm

Energy Technology Data Exchange (ETDEWEB)

Hayashi, Kyohei, E-mail: k-hayashi@bioorg.rcast.u-tokyo.ac.jp; Inoue, Munetomo; Yoshida, Kou [Center for Organic Photonics and Electronics Research (OPERA), Kyushu University, 744 Motooka, Nishi, Fukuoka 819-0395 (Japan); Nakanotani, Hajime [Center for Organic Photonics and Electronics Research (OPERA), Kyushu University, 744 Motooka, Nishi, Fukuoka 819-0395 (Japan); JST, ERATO, Adachi Molecular Exciton Engineering Project, c/o OPERA, Kyushu University, 744 Motooka, Nishi, Fukuoka 819-0395 (Japan); Innovative Organic Device Laboratory, Institute of Systems, Information Technologies and Nanotechnologies (ISIT), 744 Motooka, Nishi, Fukuoka 819-0395 (Japan); Mikhnenko, Oleksandr; Nguyen, Thuc-Quyen, E-mail: quyen@chem.ucsb.edu, E-mail: adachi@cstf.kyushu-u.ac.jp [Center for Polymers and Organic Solids, University of California, Santa Barbara, California 93106-9510 (United States); Adachi, Chihaya, E-mail: quyen@chem.ucsb.edu, E-mail: adachi@cstf.kyushu-u.ac.jp [Center for Organic Photonics and Electronics Research (OPERA), Kyushu University, 744 Motooka, Nishi, Fukuoka 819-0395 (Japan); JST, ERATO, Adachi Molecular Exciton Engineering Project, c/o OPERA, Kyushu University, 744 Motooka, Nishi, Fukuoka 819-0395 (Japan); Innovative Organic Device Laboratory, Institute of Systems, Information Technologies and Nanotechnologies (ISIT), 744 Motooka, Nishi, Fukuoka 819-0395 (Japan); International Institute for Carbon Neutral Energy Research (WPI-I2CNER), Kyushu University, 744 Motooka, Nishi, Fukuoka 819-0395 (Japan)

2015-03-02

Using e-beam nanolithography, the current injection/transport area in organic light-emitting diodes (OLEDs) was confined into a narrow linear structure with a minimum width of 50 nm. This caused suppression of Joule heating and partial separation of polarons and excitons, so the charge density where the electroluminescent efficiency decays to the half of the initial value (J{sub 0}) was significantly improved. A device with a narrow current injection width of 50 nm exhibited a J{sub 0} that was almost two orders of magnitude higher compared with that of the unpatterned OLED.

Experimental manifestations of the Nb.sup.4+./sup.-O.sup.-./sup. polaronic excitons in KTa.sub.0.988./sub.Nb.sub.0.012./sub.O.sub.3./sub..

Czech Academy of Sciences Publication Activity Database

Yusupov, R.V.; Gracheva, I.N.; Rodionov, A.A.; Syrnikov, P. P.; Gubaev, A. I.; Dejneka, Alexandr; Jastrabík, Lubomír; Trepakov, V.A.; Salakhov, M.K.

2011-01-01

Roč. 84, č. 17 (2011), 174118/1-174118/7 ISSN 1098-0121 R&D Projects: GA MŠk(CZ) 1M06002 Institutional research plan: CEZ:AV0Z10100522 Keywords : photoinduced EPR * Nb 4+ -O - polaronic excitons * KTa 0.988 Nb 0.012 O 3 Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.691, year: 2011

Electrochemical single-molecule conductivity of duplex and quadruplex DNA

DEFF Research Database (Denmark)

Zhang, Ling; Zhang, Jingdong; Ulstrup, Jens

2017-01-01

Photoinduced and electrochemical charge transport in DNA (oligonucleotides, OGNs) and the notions “hopping”, superexchange, polaron, and vibrationally gated charge transport have been in focus over more than two decades. In recent years mapping of electrochemical charge transport of pure and redo...

FOB-SH: Fragment orbital-based surface hopping for charge carrier transport in organic and biological molecules and materials

Energy Technology Data Exchange (ETDEWEB)

Spencer, J.; Gajdos, F.; Blumberger, J., E-mail: j.blumberger@ucl.ac.uk [Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT (United Kingdom)

2016-08-14

We introduce a fragment orbital-based fewest switches surface hopping method, FOB-SH, designed to efficiently simulate charge carrier transport in strongly fluctuating condensed phase systems such as organic semiconductors and biomolecules. The charge carrier wavefunction is expanded and the electronic Hamiltonian constructed in a set of singly occupied molecular orbitals of the molecular sites that mediate the charge transfer. Diagonal elements of the electronic Hamiltonian (site energies) are obtained from a force field, whereas the off-diagonal or electronic coupling matrix elements are obtained using our recently developed analytic overlap method. We derive a general expression for the exact forces on the adiabatic ground and excited electronic state surfaces from the nuclear gradients of the charge localized electronic states. Applications to electron hole transfer in a model ethylene dimer and through a chain of ten model ethylenes validate our implementation and demonstrate its computational efficiency. On the larger system, we calculate the qualitative behaviour of charge mobility with change in temperature T for different regimes of the intermolecular electronic coupling. For small couplings, FOB-SH predicts a crossover from a thermally activated regime at low temperatures to a band-like transport regime at higher temperatures. For higher electronic couplings, the thermally activated regime disappears and the mobility decreases according to a power law. This is interpreted by a gradual loss in probability for resonance between the sites as the temperature increases. The polaron hopping model solved for the same system gives a qualitatively different result and underestimates the mobility decay at higher temperatures. Taken together, the FOB-SH methodology introduced here shows promise for a realistic investigation of charge carrier transport in complex organic, aqueous, and biological systems.

FOB-SH: Fragment orbital-based surface hopping for charge carrier transport in organic and biological molecules and materials

Science.gov (United States)

Spencer, J.; Gajdos, F.; Blumberger, J.

2016-08-01

We introduce a fragment orbital-based fewest switches surface hopping method, FOB-SH, designed to efficiently simulate charge carrier transport in strongly fluctuating condensed phase systems such as organic semiconductors and biomolecules. The charge carrier wavefunction is expanded and the electronic Hamiltonian constructed in a set of singly occupied molecular orbitals of the molecular sites that mediate the charge transfer. Diagonal elements of the electronic Hamiltonian (site energies) are obtained from a force field, whereas the off-diagonal or electronic coupling matrix elements are obtained using our recently developed analytic overlap method. We derive a general expression for the exact forces on the adiabatic ground and excited electronic state surfaces from the nuclear gradients of the charge localized electronic states. Applications to electron hole transfer in a model ethylene dimer and through a chain of ten model ethylenes validate our implementation and demonstrate its computational efficiency. On the larger system, we calculate the qualitative behaviour of charge mobility with change in temperature T for different regimes of the intermolecular electronic coupling. For small couplings, FOB-SH predicts a crossover from a thermally activated regime at low temperatures to a band-like transport regime at higher temperatures. For higher electronic couplings, the thermally activated regime disappears and the mobility decreases according to a power law. This is interpreted by a gradual loss in probability for resonance between the sites as the temperature increases. The polaron hopping model solved for the same system gives a qualitatively different result and underestimates the mobility decay at higher temperatures. Taken together, the FOB-SH methodology introduced here shows promise for a realistic investigation of charge carrier transport in complex organic, aqueous, and biological systems.

Faraday rotation by the undisturbed bulk and by photoinduced giant polarons in EuTe

Science.gov (United States)

Henriques, A. B.; Usachev, P. A.

2017-11-01

A quantum mechanical model is developed for the Faraday effect in europium telluride, for photons of energy within the transparency gap. The model is based on the well known band edge electronic energy states in EuTe. A concise expression for the Verdet constant is obtained, determined by few parameters already available in the literature. The Verdet constant adopted here, defined by the ratio between the Faraday rotation angle and the magnetization, is in effect temperature independent. Its dependence on the photon energy and applied magnetic field is in excellent agreement with published results. Below 3 T the Verdet constant is also nearly independent on field, but above 3 T at low temperatures it increases due to the band gap redshift. The model is used to calculate the photoinduced Faraday rotation associated with photoinduced giant magnetic polarons in EuTe. The theoretical photoinduced Faraday rotation excitation describes quite well the main features seen experimentally. Due to the common band-edge electronic energy structure, the model reported here could be extended to all other europium chalcogenides.

Cycling as a Smart and Green Mode of Transport in Small Touristic Cities

Directory of Open Access Journals (Sweden)

Paraskevi Karanikola

2018-01-01

Full Text Available Cycling as a mode of transport is a low-cost, health-improving way to travel and offers environmental benefits for the cities that promote it. It is only recently, though, with concerns over climate change, pollution, congestion, and obesity among others, that have cities throughout the world have begun to implement policies to promote cycling. In Greece, however, the use of the bicycle is limited. In Preveza, a small touristic city in Northwestern Greece where the use of the bicycle is prominent when compared to other Greek cities, there are efforts to promote cycling. Through the aid of a structured questionnaire, the residents evaluated the suitability of the city for cycling, the existing infrastructure, appropriate education, and behavior of cyclists and drivers. More than half of the residents use bicycles as their transportation and stated that bicycles are an inexpensive way of transport in the city and had the opinion that the state should encourage bicycle use by supporting subvention in bicycle acquisition. Two-thirds of the residents evaluated the cycling facilities of their city as adequate, but unsafe for young cyclists who do not follow the rules of transport. Adult cyclists, in contrast, were more loyal to the code, but stated that drivers did not respect their presence on the roads. This research provides important information on the perceived shortcomings of cycling as a transport mode in Preveza that may be of interest to towns/cities with similar characteristics.

Bayesian estimation of the hydraulic and solute transport properties of a small-scale unsaturated soil column

NARCIS (Netherlands)

Moreira, Paulo H S; Van Genuchten, Martinus Th; Orlande, Helcio R B; Cotta, Renato M.

2016-01-01

In this study the hydraulic and solute transport properties of an unsaturated soil were estimated simultaneously from a relatively simple small-scale laboratory column infiltration/outflow experiment. As governing equations we used the Richards equation for variably saturated flow and a physical

Transportation Limitation Access to the Small Islands (Case Study: Banggai Laut Regency)

Science.gov (United States)

Sunarti, S.

2018-02-01

Indonesia is as an archipelago and maritime country, the large number of Islands owned and scattered in all directions makes a challenge for the Government in equitable development. Development in Indonesia has not been spread evenly and tends to focus on the big island, while the smaller islands are still far behind and lack of government attention. One of them is the lack of infrastructure especially the access to the small islands. Among the small islands in Indonesia with minimal maritime infrastructure or transportation is Banggai Laut Regency, Central Sulawesi Province. This Regency is a new regency that separate itself from its previous regency that is Banggai Kepulauan Regency in about 4 years ago. For the development of the Banggai Laut Regency, access to reach that regency is quite difficult. Therefore, the aim of this research is to find infrastructure development strategy to support the development of Banggai Laut Regency. The research method used was the concurrent model mixed method. Data collection method was done with primary data through field observation and interview, secondary data through literature and document review. Analytical techniques used are qualitative descriptive and Map Overlay techniques using GIS to describe the characteristics of study areas and spatial relationships between islands. The results of this research conclude that the Banggai Laut Regency requires infrastructure development particularly maritime transportation to enhance accessibility of the community headed to Banggi Laut Regency or headed to another island from the Banggai Laut Regency.

Electronic transport and conduction mechanism transition in La1∕3Sr2∕3FeO3 thin films

International Nuclear Information System (INIS)

Devlin, R. C.; Krick, A. L.; Sichel-Tissot, R. J.; Xie, Y. J.; May, S. J.

2014-01-01

We report on the electronic transport properties of epitaxial La 1∕3 Sr 2∕3 FeO 3 films using temperature dependent resistivity, Hall effect, and magnetoresistance measurements. We show that the electronic phase transition, which occurs near 190 K, results in a change in conduction mechanism from nonadiabatic polaron transport at high temperatures to resistivity behavior following a power law temperature dependence at low temperatures. The phase transition is also accompanied by an abrupt increase in apparent mobility and Hall coefficient below the critical temperature (T*). We argue that the exotic low temperature transport properties are a consequence of the unusually long-range periodicity of the antiferromagnetic ordering, which also couples to the electronic transport in the form of a negative magnetoresistance below T* and a sign reversal of the Hall coefficient at T*. By comparing films of differing thicknesses, stoichiometry, and strain states, we demonstrate that the observed conduction behavior is a robust feature of La 1∕3 Sr 2∕3 FeO 3 .

Synchronization and Control of Halo-Chaos in Beam Transport Network with Small World Topology

International Nuclear Information System (INIS)

Liu Qiang; Fang Jinqing; Li Yong

2007-01-01

The synchronous conditions of two kinds of the small-world (SW) network are studied. The small world topology can affect on dynamical behaviors of the beam transport network (BTN) largely, if the BTN is constructed with the SW topology, the global linear coupling and special linear feedback can realize the synchronization control of beam halo-chaos as well as periodic state in the BTN with the SW topology, respectively. This important result can provide an effective way for the experimental study and the engineering design of the BTN in the high-current accelerator driven radioactive clean nuclear power systems, and may have potential use in prospective applications for halo-chaos secure communication.

Study on the electrical transport properties of La{sub 2/3}Ba{sub 1/3}MnO{sub 3}:Ag{sub 0.04}/LaAlO{sub 3} (001) films

Energy Technology Data Exchange (ETDEWEB)

Liu, Xiang, E-mail: lxjim@126.com; Zhao, Shuang; Zhang, Shao-Chun

2017-01-01

La{sub 2/3}Ba{sub 1/3}MnO{sub 3}: wt%Ag{sub x} (LBMO:Ag{sub x}, x=0.04) films were prepared on single crystalline (001)-orientated LaAlO{sub 3} substrates by pulsed laser deposition technique. All the samples show along the (00l) orientation in rhombohedral structure with R3c space group. The surface roughness (Ra), insulator-metal transition temperature (Tp) and resistivity at Tp (ρ{sub Tp}) of the LBMO:Ag{sub 0.04} films reached optimal values of 3.29 nm, 288 K and 0.033 Ω cm at 740 °C, respectively. The improvement of electrical transport properties in the films are attributed to the optimal growth temperature and Ag-doping improve the microstructure of the surfaces, grain boundaries (GBs) in connectivity and better crystallization. In addition, the electrical conduction behaviors can be well fitted with the grain/domain boundary, electron–electron and magnon scattering mechanisms in the ferromagnetic metallic region (Tsmall polaron hopping mechanism in the paramagnetic insulating region (T>Tp).

Sediment transport to and from small impoundments in northeast Kansas, March 2009 through September 2011

Science.gov (United States)

Foster, Guy M.; Lee, Casey J.; Ziegler, Andrew C.

2012-01-01

The U.S. Geological Survey, in cooperation with the Kansas Water Office, investigated sediment transport to and from three small impoundments (average surface area of 0.1 to 0.8 square miles) in northeast Kansas during March 2009 through September 2011. Streamgages and continuous turbidity sensors were operated upstream and downstream from Atchison County, Banner Creek, and Centralia Lakes to study the effect of varied watershed characteristics and agricultural practices on sediment transport in small watersheds in northeast Kansas. Atchison County Lake is located in a predominantly agricultural basin of row crops, with wide riparian buffers along streams, a substantial amount of tile drainage, and numerous small impoundments (less than 0.05 square miles; hereafter referred to as “ponds”). Banner Creek Lake is a predominantly grassland basin with numerous small ponds located in the watershed, and wide riparian buffers along streams. Centralia Lake is a predominantly agricultural basin of row crops with few ponds, few riparian buffers along streams, and minimal tile drainage. Upstream from Atchison County, Banner Creek, and Centralia Lakes 24, 38, and 32 percent, respectively, of the total load was transported during less than 0.1 percent (approximately 0.9 days) of the time. Despite less streamflow in 2011, larger sediment loads during that year indicate that not all storm events transport the same amount of sediment; larger, extreme storms during the spring may transport much larger sediment loads in small Kansas watersheds. Annual sediment yields were 360, 400, and 970 tons per square mile per year at Atchison County, Banner, and Centralia Lake watersheds, respectively, which were less than estimated yields for this area of Kansas (between 2,000 and 5,000 tons per square mile per year). Although Centralia and Atchison County Lakes had similar percentages of agricultural land use, mean annual sediment yields upstream from Centralia Lake were about 2.7 times

Bayesian estimation of the hydraulic and solute transport properties of a small-scale unsaturated soil column

Directory of Open Access Journals (Sweden)

Moreira Paulo H. S.

2016-03-01

Full Text Available In this study the hydraulic and solute transport properties of an unsaturated soil were estimated simultaneously from a relatively simple small-scale laboratory column infiltration/outflow experiment. As governing equations we used the Richards equation for variably saturated flow and a physical non-equilibrium dual-porosity type formulation for solute transport. A Bayesian parameter estimation approach was used in which the unknown parameters were estimated with the Markov Chain Monte Carlo (MCMC method through implementation of the Metropolis-Hastings algorithm. Sensitivity coefficients were examined in order to determine the most meaningful measurements for identifying the unknown hydraulic and transport parameters. Results obtained using the measured pressure head and solute concentration data collected during the unsaturated soil column experiment revealed the robustness of the proposed approach.

A probabilistic risk-analysis of the transport of small radioactive material type B packages in France

International Nuclear Information System (INIS)

Hubert, P.; Pages, P.

1982-01-01

The assessment of the accidental risk due to the road transportation of a small package containing γ-ray emitters is performed in France. Analyzing records of road transportation accidents, modeling the package behaviour and estimating the importance of the involved population are the three main steps of the study. The interest of such an anlysis relies on the relative simplicity of the model and the availability of statistical data. This allows modelling of the whole process and study of the various sensitivities. It is also of pratical interest when assessing the cost-effectiveness of some safety/protection measures

Point-to-Point! Validation of the Small Aircraft Transportation System Higher Volume Operations Concept

Science.gov (United States)

Williams, Daniel M.

2006-01-01

Described is the research process that NASA researchers used to validate the Small Aircraft Transportation System (SATS) Higher Volume Operations (HVO) concept. The four phase building-block validation and verification process included multiple elements ranging from formal analysis of HVO procedures to flight test, to full-system architecture prototype that was successfully shown to the public at the June 2005 SATS Technical Demonstration in Danville, VA. Presented are significant results of each of the four research phases that extend early results presented at ICAS 2004. HVO study results have been incorporated into the development of the Next Generation Air Transportation System (NGATS) vision and offer a validated concept to provide a significant portion of the 3X capacity improvement sought after in the United States National Airspace System (NAS).

Electronic transport and conduction mechanism transition in La{sub 1∕3}Sr{sub 2∕3}FeO{sub 3} thin films

Energy Technology Data Exchange (ETDEWEB)

Devlin, R. C.; Krick, A. L.; Sichel-Tissot, R. J.; Xie, Y. J.; May, S. J., E-mail: smay@coe.drexel.edu [Department of Materials Science and Engineering, Drexel University, Philadelphia, Pennsylvania 19104 (United States)

2014-06-21

We report on the electronic transport properties of epitaxial La{sub 1∕3}Sr{sub 2∕3}FeO{sub 3} films using temperature dependent resistivity, Hall effect, and magnetoresistance measurements. We show that the electronic phase transition, which occurs near 190 K, results in a change in conduction mechanism from nonadiabatic polaron transport at high temperatures to resistivity behavior following a power law temperature dependence at low temperatures. The phase transition is also accompanied by an abrupt increase in apparent mobility and Hall coefficient below the critical temperature (T*). We argue that the exotic low temperature transport properties are a consequence of the unusually long-range periodicity of the antiferromagnetic ordering, which also couples to the electronic transport in the form of a negative magnetoresistance below T* and a sign reversal of the Hall coefficient at T*. By comparing films of differing thicknesses, stoichiometry, and strain states, we demonstrate that the observed conduction behavior is a robust feature of La{sub 1∕3}Sr{sub 2∕3}FeO{sub 3}.

Pick-up, transport and release of a molecular cargo using a small-molecule robotic arm

Science.gov (United States)

Kassem, Salma; Lee, Alan T. L.; Leigh, David A.; Markevicius, Augustinas; Solà, Jordi

2016-02-01

Modern-day factory assembly lines often feature robots that pick up, reposition and connect components in a programmed manner. The idea of manipulating molecular fragments in a similar way has to date only been explored using biological building blocks (specifically DNA). Here, we report on a wholly artificial small-molecule robotic arm capable of selectively transporting a molecular cargo in either direction between two spatially distinct, chemically similar, sites on a molecular platform. The arm picks up/releases a 3-mercaptopropanehydrazide cargo by formation/breakage of a disulfide bond, while dynamic hydrazone chemistry controls the cargo binding to the platform. Transport is controlled by selectively inducing conformational and configurational changes within an embedded hydrazone rotary switch that steers the robotic arm. In a three-stage operation, 79-85% of 3-mercaptopropanehydrazide molecules are transported in either (chosen) direction between the two platform sites, without the cargo at any time fully dissociating from the machine nor exchanging with other molecules in the bulk.

Magnetoelectroluminescence in organic light-emitting diodes

Science.gov (United States)

Lawrence, Joseph E.; Lewis, Alan M.; Manolopoulos, David E.; Hore, P. J.

2016-06-01

The magnetoelectroluminescence of conjugated organic polymer films is widely accepted to arise from a polaron pair mechanism, but their magnetoconductance is less well understood. Here we derive a new relationship between the experimentally measurable magnetoelectroluminescence and magnetoconductance and the theoretically calculable singlet yield of the polaron pair recombination reaction. This relationship is expected to be valid regardless of the mechanism of the magnetoconductance, provided the mobilities of the free polarons are independent of the applied magnetic field (i.e., provided one discounts the possibility of spin-dependent transport). We also discuss the semiclassical calculation of the singlet yield of the polaron pair recombination reaction for materials such as poly(2,5-dioctyloxy-paraphenylene vinylene) (DOO-PPV), the hyperfine fields in the polarons of which can be extracted from light-induced electron spin resonance measurements. The resulting theory is shown to give good agreement with experimental data for both normal (H-) and deuterated (D-) DOO-PPV over a wide range of magnetic field strengths once singlet-triplet dephasing is taken into account. Without this effect, which has not been included in any previous simulation of magnetoelectroluminescence, it is not possible to reproduce the experimental data for both isotopologues in a consistent fashion. Our results also indicate that the magnetoconductance of DOO-PPV cannot be solely due to the effect of the magnetic field on the dissociation of polaron pairs.

Magnetoelectroluminescence in organic light-emitting diodes

International Nuclear Information System (INIS)

Lawrence, Joseph E.; Lewis, Alan M.; Manolopoulos, David E.; Hore, P. J.

2016-01-01

The magnetoelectroluminescence of conjugated organic polymer films is widely accepted to arise from a polaron pair mechanism, but their magnetoconductance is less well understood. Here we derive a new relationship between the experimentally measurable magnetoelectroluminescence and magnetoconductance and the theoretically calculable singlet yield of the polaron pair recombination reaction. This relationship is expected to be valid regardless of the mechanism of the magnetoconductance, provided the mobilities of the free polarons are independent of the applied magnetic field (i.e., provided one discounts the possibility of spin-dependent transport). We also discuss the semiclassical calculation of the singlet yield of the polaron pair recombination reaction for materials such as poly(2,5-dioctyloxy-paraphenylene vinylene) (DOO-PPV), the hyperfine fields in the polarons of which can be extracted from light-induced electron spin resonance measurements. The resulting theory is shown to give good agreement with experimental data for both normal (H-) and deuterated (D-) DOO-PPV over a wide range of magnetic field strengths once singlet-triplet dephasing is taken into account. Without this effect, which has not been included in any previous simulation of magnetoelectroluminescence, it is not possible to reproduce the experimental data for both isotopologues in a consistent fashion. Our results also indicate that the magnetoconductance of DOO-PPV cannot be solely due to the effect of the magnetic field on the dissociation of polaron pairs.

Spin fluctuation and small polaron conduction dominated electrical ...

Indian Academy of Sciences (India)

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temperature regime (20 K < T < 53 K), shows a minima near 53 K and increases with T ... Manganite nanoparticles; resistivity; spin fluctuation; electron–phonon interaction; electron– ... the low-doped regime because of the series of structural,.

Gene expression of transporters and phase I/II metabolic enzymes in murine small intestine during fasting

Directory of Open Access Journals (Sweden)

van der Meijde Jolanda

2007-08-01

Full Text Available Abstract Background Fasting has dramatic effects on small intestinal transport function. However, little is known on expression of intestinal transport and phase I/II metabolism genes during fasting and the role the fatty acid-activated transcription factor PPARα may play herein. We therefore investigated the effects of fasting on expression of these genes using Affymetrix GeneChip MOE430A arrays and quantitative RT-PCR. Results After 24 hours of fasting, expression levels of 33 of the 253 analyzed transporter and phase I/II metabolism genes were changed. Upregulated genes were involved in transport of energy-yielding molecules in processes such as glycogenolysis (G6pt1 and mitochondrial and peroxisomal oxidation of fatty acids (Cact, Mrs3/4, Fatp2, Cyp4a10, Cyp4b1. Other induced genes were responsible for the inactivation of the neurotransmitter serotonin (Sert, Sult1d1, Dtd, Papst2, formation of eicosanoids (Cyp2j6, Cyp4a10, Cyp4b1, or for secretion of cholesterol (Abca1 and Abcg8. Cyp3a11, typically known because of its drug metabolizing capacity, was also increased. Fasting had no pronounced effect on expression of phase II metabolic enzymes, except for glutathione S-transferases which were down-regulated. Time course studies revealed that some genes were acutely regulated, whereas expression of other genes was only affected after prolonged fasting. Finally, we identified 8 genes that were PPARα-dependently upregulated upon fasting. Conclusion We have characterized the response to fasting on expression of transporters and phase I/II metabolic enzymes in murine small intestine. Differentially expressed genes are involved in a variety of processes, which functionally can be summarized as a increased oxidation of fat and xenobiotics, b increased cholesterol secretion, c increased susceptibility to electrophilic stressors, and d reduced intestinal motility. This knowledge increases our understanding of gut physiology, and may be of relevance

Growth of embryo and gene expression of nutrient transporters in the small intestine of the domestic pigeon (Columba livia)*

Science.gov (United States)

Chen, Ming-xia; Li, Xiang-guang; Yang, Jun-xian; Gao, Chun-qi; Wang, Bin; Wang, Xiu-qi; Yan, Hui-chao

2015-01-01

The objective of this study was to investigate the relationship between gene expression of nutrient (amino acid, peptide, sodium and proton) transporters in the small intestine and embryonic growth in domestic pigeons (Columba livia). One hundred and twenty-five fertilized eggs were randomly assigned into five groups and were incubated under optimal conditions (temperature of 38.1 °C and relative humidity of 55%). Twenty embryos/birds from each group were sacrificed by cervical dislocation on embryonic day (E) 9, 11, 13, 15 and day of hatch (DOH). The eggs, embryos (without yolk sac), and organs (head, brain, heart, liver, lungs, kidney, gizzard, small intestine, legs, and thorax) were dissected, cleaned, and weighed. Small intestine samples were collected for RNA isolation. The mRNA abundance of intestinal nutrient transporters was evaluated by real-time reverse transcription-polymerase chain reaction (RT-PCR). We classified these ten organs into four types according to the changes in relative weight during embryonic development. In addition, the gene expression of nutrient transporters was differentially regulated by embryonic day. The mRNA abundances of b0,+AT, EAAT3, y+LAT2, PepT1, LAT4, NHE2, and NHE3 increased linearly with age, whereas mRNA abundances of CAT1, CAT2, LAT1, EAAT2, SNAT1, and SNAT2 were increased to higher levels on E9 or E11 and then decreased to lower levels until DOH. The results of correlation analysis showed that the gene expressions of b0,+AT, EAAT3, PepT1, LAT4, NHE2, NHE3, and y+LAT2 had positive correlations with body weight (0.71

Growth of embryo and gene expression of nutrient transporters in the small intestine of the domestic pigeon (Columba livia).

Science.gov (United States)

Chen, Ming-xia; Li, Xiang-guang; Yang, Jun-xian; Gao, Chun-qi; Wang, Bin; Wang, Xiu-qi; Yan, Hui-chao

2015-06-01

The objective of this study was to investigate the relationship between gene expression of nutrient (amino acid, peptide, sodium and proton) transporters in the small intestine and embryonic growth in domestic pigeons (Columba livia). One hundred and twenty-five fertilized eggs were randomly assigned into five groups and were incubated under optimal conditions (temperature of 38.1 °C and relative humidity of 55%). Twenty embryos/birds from each group were sacrificed by cervical dislocation on embryonic day (E) 9, 11, 13, 15 and day of hatch (DOH). The eggs, embryos (without yolk sac), and organs (head, brain, heart, liver, lungs, kidney, gizzard, small intestine, legs, and thorax) were dissected, cleaned, and weighed. Small intestine samples were collected for RNA isolation. The mRNA abundance of intestinal nutrient transporters was evaluated by real-time reverse transcription-polymerase chain reaction (RT-PCR). We classified these ten organs into four types according to the changes in relative weight during embryonic development. In addition, the gene expression of nutrient transporters was differentially regulated by embryonic day. The mRNA abundances of b(0,+)AT, EAAT3, y(+)LAT2, PepT1, LAT4, NHE2, and NHE3 increased linearly with age, whereas mRNA abundances of CAT1, CAT2, LAT1, EAAT2, SNAT1, and SNAT2 were increased to higher levels on E9 or E11 and then decreased to lower levels until DOH. The results of correlation analysis showed that the gene expressions of b(0,+)AT, EAAT3, PepT1, LAT4, NHE2, NHE3, and y(+)LAT2 had positive correlations with body weight (0.71

Role of Li2O2@Li2CO3 Interfaces on Charge Transport in Nonaqueous Li−Air Batteries

DEFF Research Database (Denmark)

Mekonnen, Yedilfana Setarge; García Lastra, Juan Maria; Hummelshøj, Jens S.

2015-01-01

The formation and oxidation of the main discharge product in nonaqueous secondary Li−O2 batteries, that is, Li2O2, has been studied intensively, but less attention has been given to the formation of cathode−electrolyte interfaces, which can significantly influence the performance of the Li−O2...... battery. Here we apply density functional theory with the Hubbard U correction (DFT+U) and nonequilibrium Green’s function (NEGF) methods to investigate the role of Li2O2@Li2CO3 interface layers on the ionic and electronic transport properties at the oxygen electrode. We show that, for example, lithium...... vacancies accumulate at the peroxide part of the interface during charge, reducing the coherent electron transport by two to three orders of magnitude compared with pristine Li2O2. During discharge, Li2O2@Li2CO3 interfaces may, however, provide an alternative in-plane channel for fast electron polaron...

Exploring Polaronic, Excitonic Structures and Luminescence in Cs4PbBr6/CsPbBr3.

Science.gov (United States)

Kang, Byungkyun; Biswas, Koushik

2018-02-15

Among the important family of halide perovskites, one particular case of all-inorganic, 0-D Cs 4 PbBr 6 and 3-D CsPbBr 3 -based nanostructures and thin films is witnessing intense activity due to ultrafast luminescence with high quantum yield. To understand their emissive behavior, we use hybrid density functional calculations to first compare the ground-state electronic structure of the two prospective compounds. The dispersive band edges of CsPbBr 3 do not support self-trapped carriers, which agrees with reports of weak exciton binding energy and high photocurrent. The larger gap 0-D material Cs 4 PbBr 6 , however, reveals polaronic and excitonic features. We show that those lattice-coupled carriers are likely responsible for observed ultraviolet emission around ∼375 nm, reported in bulk Cs 4 PbBr 6 and Cs 4 PbBr 6 /CsPbBr 3 composites. Ionization potential calculations and estimates of type-I band alignment support the notion of quantum confinement leading to fast, green emission from CsPbBr 3 nanostructures embedded in Cs 4 PbBr 6 .

Modeling of a Small Transportation Company’s Start-Up with Limited Data during Economic Recession

Directory of Open Access Journals (Sweden)

Xiaoping Fang

2013-01-01

Full Text Available This paper presents a modeling method for analyzing a small transportation company’s start-up and growth during a global economic crisis which had an impact on China which is designed to help the owners make better investment and operating decisions with limited data. Since there is limited data, simple regression model and binary regression model failed to generate satisfactory results, so an additive periodic time series model was built to forecast business orders and income. Since the transportation market is segmented by business type and transportation distance, a polynomial model and logistic curve model were constructed to forecast the growth trend of each segmented transportation market, and the seasonal influence function was fitted by seasonal ratio method. Although both of the models produced satisfactory results and showed very nearly the same of goodness-of-fit in the sample, the logistic model presented better forecasting performance out of the sample therefore closer to the reality. Additionally, by checking the development trajectory of the case company’s business and the financial crisis in 2008, the modeling and analysis suggest that the sample company is affected by national macroeconomic factors such as GDP and import & export, and this effect comes with a time lag of one to two years.

Small Aircraft Transportation System, Higher Volume Operations Concept: Off-Nominal Operations

Science.gov (United States)

Abbott, Terence S.; Consiglio, Maria C.; Baxley, Brian T.; Williams, Daniel M.; Conway, Sheila R.

2005-01-01

This document expands the Small Aircraft Transportation System, (SATS) Higher Volume Operations (HVO) concept to include off-nominal conditions. The general philosophy underlying the HVO concept is the establishment of a newly defined area of flight operations called a Self-Controlled Area (SCA). During periods of poor weather, a block of airspace would be established around designated non-towered, non-radar airports. Aircraft flying enroute to a SATS airport would be on a standard instrument flight rules flight clearance with Air Traffic Control providing separation services. Within the SCA, pilots would take responsibility for separation assurance between their aircraft and other similarly equipped aircraft. Previous work developed the procedures for normal HVO operations. This document provides details for off-nominal and emergency procedures for situations that could be expected to occur in a future SCA.

Optical transition energy of magneto-polaron in a GaAs{sub 0.9}P{sub 0.1}/GaAs{sub 0.6}P{sub 0.4} quantum dot

Energy Technology Data Exchange (ETDEWEB)

Vinolin, Ada [Dept. of Physics, Madurai Kamaraj University College, Alagarkoil Road, Madurai-625002. India (India); Peter, A. John, E-mail: a.john.peter@gmail.com [Dept. of Physics, Govt. Arts College, Melur-625106. Madurai. India (India)

2015-06-24

Magneto-LO-polaron in a cylindrical GaAs{sub 0.9} P{sub 0.1} / GaAs{sub 0.6} P{sub 0.4} quantum dot is investigated taking into consideration of geometrical confinement effect. The effects of phonon on the exciton binding energy and the interband emission energy as a function of dot radius are found. The calculations are performed within the single band effective mass approximation using the variational method based on the Lee-Low-Pine LLP transformation.

The small intestinal epithelia of beef steers differentially express sugar transporter messenger ribonucleic acid in response to abomasal versus ruminal infusion of starch hydrolysate.

Science.gov (United States)

Liao, S F; Harmon, D L; Vanzant, E S; McLeod, K R; Boling, J A; Matthews, J C

2010-01-01

In mammals, the absorption of monosaccharides from small intestinal lumen involves at least 3 sugar transporters (SugT): sodium-dependent glucose transporter 1 (SGLT1; gene SLC5A1) transports glucose and galactose, whereas glucose transporter (GLUT) 5 (GLUT5; gene SLC2A5) transports fructose, across the apical membrane of enterocytes. In contrast, GLUT2 (gene SLC2A2) transports all of these sugars across basolateral and apical membranes. To compare the distribution patterns and sensitivity with nutritional regulation of these 3 SugT mRNA in beef cattle small intestinal tissue, 18 ruminally and abomasally catheterized Angus steers (BW approximately 260 kg) were assigned to water (control), ruminal cornstarch (partially hydrolyzed by alpha-amylase; SH), or abomasal SH infusion treatments (n = 6) and fed an alfalfa-cube-based diet at 1.3 x NE(m) requirement. The SH infusions amounted to 20% of ME intake. After 14- or 16-d of infusion, steers were killed; duodenal, jejunal, and ileal epithelia harvested; and total RNA extracted. The relative amount of SugT mRNA in epithelia was determined using real-time reverse transcription-PCR quantification methods. Basal expression of GLUT2 and SGLT1 mRNA was greater (P content of GLUT5 mRNA was greater (P content of GLUT5 mRNA in small intestinal epithelia was not affected (P > or = 0.16) by either SH infusion treatment. In contrast, GLUT2 and SGLT1 mRNA content in the ileal epithelium was increased (P content also was increased (P = 0.07) by 64% after ruminal SH infusion. These results demonstrate that the ileum of beef cattle small intestine adapts to an increased luminal supply of glucose by increasing SGLT1 and GLUT2 mRNA content, whereas increased ruminal SH supply results in duodenal upregulation of SGLT1 mRNA content. These adaptive responses of GLUT2 and SGLT1 mRNA to abomasal or ruminal SH infusion suggest that beef cattle can adapt to increase their carbohydrate assimilation through small intestinal epithelia, assuming

Clinical course teaching in transport of critically ill patients: Small group methods

Directory of Open Access Journals (Sweden)

Mohammad Taghi Beigmohammadi

2016-10-01

Full Text Available Critically ill patient transfer is potentially risky and may be lead to morbidity and mortality. Physicians' skill is very important for safe transport. We want to evaluate the effect of clinical course teaching on the promotion of physicians' abilities in the transport of critically ill patients. In an interventional study, 320 interns, male and female, were taught about patient transfer in two groups include in one day clinical course as the small group system (n=160 and other group the lecture base learning (n=160. In the clinical course, each participant under observation of an anesthesiologist in the operation room and ICU was acquainted with mask ventilation, intubation and learned to work with a defibrillator, infusion pump, portable ventilator and pulse oximeter. In lecture group, the anesthesiologist explained the topics by video and dummy. At the end of education course, the interns’ abilities were evaluated based on checklist method and scored by the project colleague in all educational items. Three hundred twenty interns, 122 males, and 198 females; were enrolled, two groups. The clinical course training caused improvements in the interns’ knowledge and abilities in intubation and use of the defibrillator and portable ventilator vs.lecture group significantly (P<0.005. The males were better than females in laryngoscopy, but the progress of the females was significantly better than males (P=0.003. The rate of adverse events was reduced significantly after clinical course teaching (P=0.041 Clinical course teaching could promote interns' clinical competencies in the transport of critically ill patients.

The role of local repulsion in superconductivity in the Hubbard-Holstein model

Science.gov (United States)

Lin, Chungwei; Wang, Bingnan; Teo, Koon Hoo

2017-01-01

We examine the superconducting solution in the Hubbard-Holstein model using Dynamical Mean Field Theory. The Holstein term introduces the site-independent Boson fields coupling to local electron density, and has two competing influences on superconductivity: The Boson field mediates the effective electron-electron attraction, which is essential for the S-wave electron pairing; the same coupling to the Boson fields also induces the polaron effect, which makes the system less metallic and thus suppresses superconductivity. The Hubbard term introduces an energy penalty U when two electrons occupy the same site, which is expected to suppress superconductivity. By solving the Hubbard-Holstein model using Dynamical Mean Field theory, we find that the Hubbard U can be beneficial to superconductivity under some circumstances. In particular, we demonstrate that when the Boson energy Ω is small, a weak local repulsion actually stabilizesthe S-wave superconducting state. This behavior can be understood as an interplay between superconductivity, the polaron effect, and the on-site repulsion: As the polaron effect is strong and suppresses superconductivity in the small Ω regime, the weak on-site repulsion reduces the polaron effect and effectively enhances superconductivity. Our calculation elucidates the role of local repulsion in the conventional S-wave superconductors.

Paleoclassical transport explains electron transport barriers in RTP and TEXTOR

NARCIS (Netherlands)

Hogeweij, G. M. D.; Callen, J.D.

2008-01-01

The recently developed paleoclassical transport model sets the minimum level of electron thermal transport in a tokamak. This transport level has proven to be in good agreement with experimental observations in many cases when fluctuation-induced anomalous transport is small, i.e. in (near-) ohmic

Big data analytics — A review of data-mining models for small and medium enterprises in the transportation sector.

OpenAIRE

Selamat, Siti Aishah Mohd; Prakoonwit, Simant; Sahandi, Reza; Khan, W.; Ramachandran, M.

2018-01-01

The need for small and medium enterprises (SMEs) to adopt data analytics has reached a critical point, given the surge of data implied by the advancement of technology. Despite data mining (DM) being widely used in the transportation sector, it is staggering to note that there are minimal research case studies being done on the application of DM by SMEs, specifically in the transportation sector. From the extensive review conducted, the three most common DM models used by large enterprises in...

Transport properties of La 1- xSr xCoO 3- δ films (0.15⩽ x⩽0.5)

Science.gov (United States)

Prokhorov, G.; Kaminsky, G. G.; Kravchenko, I. I.; Lee, Y. P.

2002-11-01

The magnetic and transport properties of La 1- xSr xCoO 3 films prepared by laser ablation have been investigated. The metal-insulator transition was observed in the films with decreasing Sr 2+ concentration (if x⩽0.25). Analysis of the experimental results revealed that the transport of carriers in the metallic state is governed by electron-electron scattering if the nature of a small energy gap in the spectrum of electron excitations is taken into account. An oxygen deficiency in the aged La 0.5Sr 0.5CoO 3- δ film leads not only to a change in the Co 3+/Co 4+ ratio, but also to a structural disorder in the Co-O-Co conduction channel due to the accumulated oxygen vacancies. A growth of the resistivity with decreasing temperature for the aged La 0.5Sr 0.5CoO 3- δ film is explained in the framework of the Coulomb-interaction model. Analysis of ρ( T) data shows that the transport of carriers at high temperatures (above the temperature of magnetic transition) in the insulating state ( x⩽0.25) is governed by the Mott-like variable-range hopping (VRH) rather than motion of the lattice polarons. However, the VRH model needs to be modified for compounds of this type. The ρ( T) dependence is fairly described based on the two parallel-resistor model in the low-temperature range, where one resistor corresponds to the ferromagnetic metal-cluster network and the other to the insulating matrix (IM). Two mechanisms of magnetoresistance (MR) are involved in the investigated films. In the metallic state ( x>0.25) the MR is provided by a change in the electron scattering rate, influenced by the magnetic field. This process is reflected in the MR temperature dependence as a small peak at the Curie temperature. In the insulating state ( x⩽0.25) the phase separation into the ferromagnetic metallic clusters and the IM is formed and an applied magnetic field induces a growth of the ferromagnetic metallic phase that can be possibly described by the double-exchange mechanism.

The role of local repulsion in superconductivity in the Hubbard–Holstein model

Energy Technology Data Exchange (ETDEWEB)

Lin, Chungwei, E-mail: clin@merl.com; Wang, Bingnan; Teo, Koon Hoo

2017-01-15

Highlights: • There exists an optimal Boson energy for superconductivity in Hubbard–Holstein model. • The electron-Boson coupling is essential for superconductivity, but the same coupling can lead to polaron insulator, which is against superconductivity. • The local Coulomb repulsion can sometimes enhance superconductivity. - Abstract: We examine the superconducting solution in the Hubbard–Holstein model using Dynamical Mean Field Theory. The Holstein term introduces the site-independent Boson fields coupling to local electron density, and has two competing influences on superconductivity: The Boson field mediates the effective electron-electron attraction, which is essential for the S-wave electron pairing; the same coupling to the Boson fields also induces the polaron effect, which makes the system less metallic and thus suppresses superconductivity. The Hubbard term introduces an energy penalty U when two electrons occupy the same site, which is expected to suppress superconductivity. By solving the Hubbard–Holstein model using Dynamical Mean Field theory, we find that the Hubbard U can be beneficial to superconductivity under some circumstances. In particular, we demonstrate that when the Boson energy Ω is small, a weak local repulsion actually stabilizes the S-wave superconducting state. This behavior can be understood as an interplay between superconductivity, the polaron effect, and the on-site repulsion: As the polaron effect is strong and suppresses superconductivity in the small Ω regime, the weak on-site repulsion reduces the polaron effect and effectively enhances superconductivity. Our calculation elucidates the role of local repulsion in the conventional S-wave superconductors.

Effect of Förster-mediated triplet-polaron quenching and triplet-triplet annihilation on the efficiency roll-off of organic light-emitting diodes

Energy Technology Data Exchange (ETDEWEB)

Eersel, H. van [Simbeyond B.V., P.O. Box 513, NL-5600 MB Eindhoven (Netherlands); Bobbert, P. A.; Janssen, R. A. J.; Coehoorn, R., E-mail: r.coehoorn@tue.nl [Department of Applied Physics and Institute for Complex Molecular Systems, Eindhoven University of Technology, P.O. Box 513, NL-5600 MB Eindhoven (Netherlands)

2016-04-28

We report the results of a systematic study of the interplay of triplet-polaron quenching (TPQ) and triplet-triplet annihilation (TTA) on the efficiency roll-off of organic light-emitting diodes (OLEDs) with increasing current density. First, we focus on OLEDs based on the green phosphorescent emitter tris[2-phenylpyridine]iridium(III) (Ir(ppy){sub 3}) and the red phosphorescent dye platinum octaethylporphyrin. It is found that the experimental data can be reproduced using kinetic Monte Carlo (kMC) simulations within which TPQ and TTA are due to a nearest-neighbor (NN) interaction, or due to a more long-range Förster-type process. Furthermore, we find a subtle interplay between TPQ and TTA: decreasing the contribution of one process can increase the contribution of the other process, so that the roll-off is not significantly reduced. Furthermore, we find that just analyzing the shape of the roll-off is insufficient for determining the relative role of TPQ and TTA. Subsequently, we investigate the wider validity of this picture using kMC simulations for idealized but realistic symmetric OLEDs, with an emissive layer containing a small concentration of phosphorescent dye molecules in a matrix material. Whereas for NN-interactions the roll-off can be reduced when the dye molecules act as shallow hole and electron traps, we find that such an approach becomes counterproductive for long-range TTA and TPQ. Developing well-founded OLED design rules will thus require that more quantitative information is available on the rate and detailed mechanism of the TPQ and TTA processes.

Impact of D2O/H2O Solvent Exchange on the Emission of HgTe and CdTe Quantum Dots: Polaron and Energy Transfer Effects.

Science.gov (United States)

Wen, Qiannan; Kershaw, Stephen V; Kalytchuk, Sergii; Zhovtiuk, Olga; Reckmeier, Claas; Vasilevskiy, Mikhail I; Rogach, Andrey L

2016-04-26

We have studied light emission kinetics and analyzed carrier recombination channels in HgTe quantum dots that were initially grown in H2O. When the solvent is replaced by D2O, the nonradiative recombination rate changes highlight the role of the vibrational degrees of freedom in the medium surrounding the dots, including both solvent and ligands. The contributing energy loss mechanisms have been evaluated by developing quantitative models for the nonradiative recombination via (i) polaron states formed by strong coupling of ligand vibration modes to a surface trap state (nonresonant channel) and (ii) resonant energy transfer to vibration modes in the solvent. We conclude that channel (i) is more important than (ii) for HgTe dots in either solution. When some of these modes are removed from the relevant spectral range by the H2O to D2O replacement, the polaron effect becomes weaker and the nonradiative lifetime increases. Comparisons with CdTe quantum dots (QDs) served as a reference where the resonant energy loss (ii) a priori was not a factor, also confirmed by our experiments. The solvent exchange (H2O to D2O), however, is found to slightly increase the overall quantum yield of CdTe samples, probably by increasing the fraction of bright dots in the ensemble. The fundamental study reported here can serve as the foundation for the design and optimization principles of narrow bandgap quantum dots aimed at applications in long wavelength colloidal materials for infrared light emitting diodes and photodetectors.

Quantum versus semiclassical description of selftrapping: anharmonic effects

International Nuclear Information System (INIS)

Raghavan, S.; Bishop, A.R.; Kenkre, V.M.

1998-09-01

Selftrapping has been traditionally studied on the assumption that quasiparticles interact with harmonic phonons and that this interaction is linear in the displacement of the phonon. To complement recent semiclassical studies of anharmonicity and nonlinearity in this context, we present below a fully quantum mechanical analysis of a two-site system, where the oscillator is described by a tunably anharmonic potential, with a square well with infinite walls and the harmonic potential as its extreme limits, and wherein the interaction is nonlinear in the oscillator displacement. We find that even highly anharmonic polarons behave similar to their harmonic counterparts in that selftrapping is preserved for long times in the limit of strong coupling, and that the polaronic tunneling time scale depends exponentially on the polaron binding energy. Further, in agreement with earlier results related to harmonic polarons, the semiclassical approximation agrees with the full quantum result in the massive oscillator limit of small oscillator frequency and strong quasiparticle-oscillator coupling. (author)

Theoretical and experimental study of AC electrical conduction mechanism in the low temperature range of p-CuIn3Se5

Science.gov (United States)

Essaleh, L.; Amhil, S.; Wasim, S. M.; Marín, G.; Choukri, E.; Hajji, L.

2018-05-01

In the present work, an attempt has been made to study theoretically and experimentally the AC electrical conduction mechanism in disordered semiconducting materials. The key parameter considered in this analysis is the frequency exponent s(ω , T) =( ∂ln(σAC(ω , T))/∂ ln(ω)T , where σAC is the AC electrical conductivity that depends on angular frequency ω and temperature T. In the theoretical part of this work, the effect of the barrier hopping energy, the polaron radius and the characteristic relaxation time is considered. The theoretical models of Quantum Mechanical Tunneling (QMT), Non overlapping Small Polaron Tunneling (NSPT), Overlapping Large Polaron Tunneling (OLPT) and Correlated Barrier Hopping (CBH) are considered to fit experimental data of σAC in p-CuIn3Se5 (p-CIS135) in the low temperature range up to 96 K. Some important parameters, as the polaron radius, the localization length and the barrier hopping energies, are estimated and their temperature and frequency dependence discussed.

Structure and transport investigations on lithium-iron-phosphate glasses

International Nuclear Information System (INIS)

Banday, Azeem; Sharma, Monika; Murugavel, Sevi

2016-01-01

Cathode materials for Lithium Ion Batteries (LIB’s) are being constantly studied and reviewed especially in the past few decades. LiFePO_4 (LFP) is one of the most potential candidates in the pedigree of cathode materials and has been under extensive study ever since. In this work, we report the synthesis of amorphous analogs of crystallite LFP by conventional melt quenching method. Thermal study by using differential scanning calorimetry (DSC) was used to determine the glass transition T_g and crystallization T_c temperatures on the obtained glass sample Fourier transform infrared (FTIR) absorption spectroscopy is being used to investigate the structural properties of the glass sample. The intrinsic electrical conductivity measurements were done using broad-band impedance spectroscopy with wide different temperature ranges. The conduction mechanism is described by non-adiabatic small polaron hopping between nearest neighbors. Based on the obtained results, we suggest that the glassy LFP is more suitable cathode material as compared to its crystalline counterpart.

Modeling of a Small Transportation Company’s Start-up with Limited Data during Economic Recession

OpenAIRE

Fang, Xiaoping; Ansell, Jonathan; Chen, Weiya

2014-01-01

This paper presents a modeling method for analyzing a small transportation company’s start-up and growth during a global economic crisis which had an impact on in China which is designed to help the owners make better investment and operating decisions with limited data. Since there is limited data, simple regression model and binary regression model failed to generate satisfactory results, so an additive periodic time series model was built to forecast business orders and income. Since the t...

The Ship Tethered Aerostat Remote Sensing System (STARRS): Observations of Small-Scale Surface Lateral Transport During the LAgrangian Submesoscale ExpeRiment (LASER)

Science.gov (United States)

Carlson, D. F.; Novelli, G.; Guigand, C.; Özgökmen, T.; Fox-Kemper, B.; Molemaker, M. J.

2016-02-01

The Consortium for Advanced Research on the Transport of Hydrocarbon in the Environment (CARTHE) will carry out the LAgrangian Submesoscale ExpeRiment (LASER) to study the role of small-scale processes in the transport and dispersion of oil and passive tracers. The Ship-Tethered Aerostat Remote Sensing System (STARRS) will observe small-scale surface dispersion in the open ocean. STARRS is built around a high-lift-capacity (30 kg) helium-filled aerostat. STARRS is equipped with a high resolution digital camera. An integrated GNSS receiver and inertial navigation system permit direct geo-rectification of the imagery. Consortium for Advanced Research on the Transport of Hydrocarbon in the Environment (CARTHE) will carry out the LAgrangian Submesoscale ExpeRiment (LASER) to study the role of small-scale processes in the transport and dispersion of oil and passive tracers. The Ship-Tethered Aerostat Remote Sensing System (STARRS) was developed to produce observational estimates of small-scale surface dispersion in the open ocean. STARRS is built around a high-lift-capacity (30 kg) helium-filled aerostat. STARRS is equipped with a high resolution digital camera. An integrated GNSS receiver and inertial navigation system permit direct geo-rectification of the imagery. Thousands of drift cards deployed in the field of view of STARRS and tracked over time provide the first observational estimates of small-scale (1-500 m) surface dispersion in the open ocean. The STARRS imagery will be combined with GPS-tracked surface drifter trajectories, shipboard observations, and aerial surveys of sea surface temperature in the DeSoto Canyon. In addition to obvious applications to oil spill modelling, the STARRS observations will provide essential benchmarks for high resolution numerical modelsDrift cards deployed in the field of view of STARRS and tracked over time provide the first observational estimates of small-scale (1-100 m) surface dispersion in the open ocean. The STARRS

Transport cross section for small-angle scattering

International Nuclear Information System (INIS)

D'yakonov, M.I.; Khaetskii, A.V.

1991-01-01

Classical mechanics is valid for describing potential scattering under the conditions (1) λ much-lt α and (2) U much-gt ℎυ/α, where λ is the de Broglie wavelength, α is the characteristic size of the scatterer, U is the characteristic value of the potential energy, and υ is the velocity of the scattered particle. The second of these conditions means that the typical value of the classical scattering angle is far larger than the diffraction angle λ/α. In this paper the authors show that this second condition need not hold in a derivation of the transport cross section. In other words, provided that the condition λ much-lt α holds, it is always possible to calculate the transport cross section from the expressions of classical mechanics, even in the region U approx-lt ℎυ/α, where the scattering is diffractive,and the differential cross section is greatly different from the classical cross section. The transport cross section is found from the classical expression even in the anticlassical case U much-lt ℎυ/α, where the Born approximation can be used

Effects of polarons on static polarizabilities and second order hyperpolarizabilities of conjugated polymers

International Nuclear Information System (INIS)

Wang Ya-Dong; Meng Yan; Di Bing; Wang Shu-Ling; An Zhong

2010-01-01

According to the one-dimensional tight-binding Su—Schrieffer—Heeger model, we have investigated the effects of charged polarons on the static polarizability, α xx , and the second order hyperpolarizabilities, γ xxxx , of conjugated polymers. Our results are consistent qualitatively with previous ab initio and semi-empirical calculations. The origin of the universal growth is discussed using a local-view formalism that is based on the local atomic charge derivatives. Furthermore, combining the Su-Schrieffer-Heeger model and the extended Hubbard model, we have investigated systematically the effects of electron-electron interactions on α xx and γ xxxx of charged polymer chains. For a fixed value of the nearest-neighbour interaction V, the values of α xx and γ xxxx increase as the on-site Coulomb interaction U increases for U c and decrease with U for U > U c , where U c is a critical value of U at which the static polarizability or the second order hyperpolarizability reaches a maximal value of α max or γ max . It is found that the effect of the e-e interaction on the value of α xx is dependent on the ratio between U and V for either a short or a long charged polymer. Whereas, that effect on the value of γ xxxx is sensitive both to the ratio of U to V and to the size of the molecule. (rapid communication)

Paleoclassical transport explains electron transport barriers in RTP and TEXTOR

Energy Technology Data Exchange (ETDEWEB)

Hogeweij, G M D [FOM-Institute for Plasma Physics Rijnhuizen, Association EURATOM-FOM, PO Box 1207, NL-3430 BE Nieuwegein (Netherlands); Callen, J D [University of Wisconsin, Madison, WI 53706-1609 (United States)

2008-06-15

The recently developed paleoclassical transport model sets the minimum level of electron thermal transport in a tokamak. This transport level has proven to be in good agreement with experimental observations in many cases when fluctuation-induced anomalous transport is small, i.e. in (near-)ohmic plasmas in small to medium size tokamaks, inside internal transport barriers (ITBs) or edge transport barriers (H-mode pedestal). In this paper predictions of the paleoclassical transport model are compared in detail with data from such kinds of discharges: ohmic discharges from the RTP tokamak, EC heated RTP discharges featuring both dynamic and shot-to-shot scans of the ECH power deposition radius and off-axis EC heated discharges from the TEXTOR tokamak. For ohmically heated RTP discharges the T{sub e} profiles predicted by the paleoclassical model are in reasonable agreement with the experimental observations, and various parametric dependences are captured satisfactorily. The electron thermal ITBs observed in steady state EC heated RTP discharges and transiently after switch-off of off-axis ECH in TEXTOR are predicted very well by the paleoclassical model.

Tokamak electron heat transport by direct numerical simulation of small scale turbulence

International Nuclear Information System (INIS)

Labit, B.

2002-10-01

In a fusion machine, understanding plasma turbulence, which causes a degradation of the measured energy confinement time, would constitute a major progress in this field. In tokamaks, the measured ion and electron thermal conductivities are of comparable magnitude. The possible sources of turbulence are the temperature and density gradients occurring in a fusion plasma. Whereas the heat losses in the ion channel are reasonably well understood, the origin of the electron losses is more uncertain. In addition to the radial velocity associated to the fluctuations of the electric field, electrons are more affected than ions by the magnetic field fluctuations. In experiments, the confinement time can be conveniently expressed in terms of dimensionless parameters. Although still somewhat too imprecise, these scaling laws exhibit strong dependencies on the normalized pressure β or the normalized Larmor radius, ρ * . The present thesis assesses whether a tridimensional, electromagnetic, nonlinear fluid model of plasma turbulence driven by a specific instability can reproduce the dependence of the experimental electron heat losses on the dimensionless parameters β and ρ * . The investigated interchange instability is the Electron Temperature Gradient driven one (ETG). The model is built by using the set of Braginskii equations. The developed simulation code is global in the sense that a fixed heat flux is imposed at the inner boundary, leaving the gradients free to evolve. From the nonlinear simulations, we have put in light three characteristics for the ETG turbulence: the turbulent transport is essentially electrostatic; the potential and pressure fluctuations form radially elongated cells called streamers; the transport level is very low compared to the experimental values. The thermal transport dependence study has shown a very small role of the normalized pressure, which is in contradiction with the Ohkama's formula. On the other hand, the crucial role of the

Quantum versus semiclassical description of self-trapping: Anharmonic effects

International Nuclear Information System (INIS)

Raghavan, S.; Bishop, A.R.; Kenkre, V.M.

1999-01-01

Self-trapping has been traditionally studied on the assumption that quasiparticles interact with harmonic phonons and that this interaction is linear in the displacement of the phonon. To complement recent semiclassical studies of anharmonicity and nonlinearity in this context, we present below a fully quantum-mechanical analysis of a two-site system, where the oscillator is described by a tunably anharmonic potential, with a square well with infinite walls and the harmonic potential as its extreme limits, and wherein the interaction is nonlinear in the oscillator displacement. We find that even highly anharmonic polarons behave similar to their harmonic counterparts in that self-trapping is preserved for long times in the limit of strong coupling, and that the polaronic tunneling time scale depends exponentially on the polaron binding energy. Further, in agreement, with earlier results related to harmonic polarons, the semiclassical approximation agrees with the full quantum result in the massive oscillator limit of small oscillator frequency and strong quasiparticle-oscillator coupling. copyright 1999 The American Physical Society

77 FR 10943 - Small Business Size Standards: Transportation and Warehousing

Science.gov (United States)

2012-02-24

... 14.0 Transportation. 485510 Charter Bus Industry 7.0 14.0 485991 Special Needs Transportation... NAICS Sector 48-49. That represents 0.7 percent of total firms in industries in that Sector that have... Limousine Service 14.0 485410 School and Employee Bus 14.0 Transportation. 485510 Charter Bus Industry 14.0...

Electrical transport and EPR investigations: A comparative study for ...

Indian Academy of Sciences (India)

did not have relatively such a high conductivity, skin depth was expected to be more than 1 μm. On the basis of g-values, line width, line shape behaviour and earlier observations by other researchers (Lux 1994;. Luthra et al 2003; Krinichnyi et al 2006), the EPR signal obtained has been assigned due to polarons (Bredas.

Investigation on magnetic, electrical and thermoelectric power of Bi-substituted La{sub 0.8}Ca{sub 0.2}MnO{sub 3} manganites

Energy Technology Data Exchange (ETDEWEB)

Manjunatha, S.O. [Department of Physics, Manipal Institute of Technology, Manipal University, Manipal 576104 (India); Rao, Ashok, E-mail: ashokanu_rao@rediffmail.com [Department of Physics, Manipal Institute of Technology, Manipal University, Manipal 576104 (India); Awana, V.P.S. [Superconductivity and Cryogenics Division, National Physical Laboratory (CSIR), Dr. K.S. Krishnan Marg, New Delhi (India); Okram, G.S. [UGC-DAE Consortium for Scientific Research, Khandwa Road, Indore 452001, MP (India)

2015-11-15

In the present work, the structural, magnetic, magneto-transport and thermoelectric properties of polycrystalline compounds of La{sub 0.8−x}Bi{sub x}Ca{sub 0.2}MnO{sub 3}(0≤x≤0.1) compounds are reported. Structure refinement using Rietveld method confirms that the samples are single phased and crystallize in rhombohedral structure with R-3C space group. Magnetic studies reveal that the pristine sample exhibits T{sub C} at 221 K and it shift towards lower temperature with Bi doping. Deviation of the temperature dependent of inverse susceptibility curves from the Curie–Weiss law confirms the existence of Griffiths-like phase. All the samples exhibit metal to insulator transition at temperature T{sub MI}, which is found to decrease with increase in Bi doping which is consistent with the magnetic studies. Magneto-resistance MR% data shows that its peak value increases with Bi-doping. The analysis of electrical resistivity data in the metallic region (TT{sub MI}) is well described using Small polaron hopping (SPH) and Mott's variable range hopping (VRH) models. Analysis of thermoelectric power data in the high temperature region suggests that the SPH mechanism is operative in this regime, while the analysis of low temperature data reveals that the electron–magnon scattering is dominant in the region. - Highlights: • Bi-doped compounds follow small polaron hopping model in high temperature range. • MR(%) increases with Bi-doping. • High temperature TEP data follows SPH model. • At low temperatures, electron–magnon scattering play role in thermo-electric transport.

Effect of mixed transition metal ions on DC conductivity in lithium bismuth borate glasses

Energy Technology Data Exchange (ETDEWEB)

Khasa, S.; Yadav, Arti, E-mail: artidabhur@gmail.com; Dahiya, M. S.; Seema,; Ashima [Physics Department, Deenbandhu Chhotu Ram University of Science & Technology, Murthal-131039 (India); Agarwal, A. [Physics Department, G.J. University of science and technology, Hisar-125001 (India)

2015-06-24

The DC conductivities of glasses having composition x(2NiO·V{sub 2}O{sub 5})·(30-x)Li{sub 2}O·20Bi{sub 2}O{sub 3}·50B{sub 2}O{sub 3} (with x=0, 2, 5, 7 and 10, i.e. NVLBB glasses) and glass samples having composition 7NiO·23 Li{sub 2}O·20Bi{sub 2}O{sub 3}·50B{sub 2}O{sub 3} and 7V{sub 2}O{sub 5}·23Li{sub 2}O·20Bi{sub 2}O{sub 3}·50B{sub 2}O{sub 3} (NLBB and VLBB respectively) are investigated as a function of temperature. Conductivity for glasses containing higher percentage of lithium ions is predominantly ionic and in glasses containing higher percentage of transition metal (TM) ions is predominantly electronic. The observed increase in conductivity with x and peak-like behavior at x=7 in NVLBB glasses due to competitive transport of small polaron contributing to a significant structural change in NVLBB glasses. Variation of molar volume and density was also observed with x. In NVLBB glasses, as x increases density increases except a slight decrease at x=7. Also density increases in NLBB whereas in case of VLBB it decreases in comparison to NVLBB1 glass composition. Mott’s small polaron hopping (SPH) model has been applied to analyze the high temperature conductivity data and activation energy.

CD147: a small molecule transporter ancillary protein at the crossroad of multiple hallmarks of cancer and metabolic reprogramming.

Science.gov (United States)

Kendrick, Agnieszka A; Schafer, Johnathon; Dzieciatkowska, Monika; Nemkov, Travis; D'Alessandro, Angelo; Neelakantan, Deepika; Ford, Heide L; Pearson, Chad G; Weekes, Colin D; Hansen, Kirk C; Eisenmesser, Elan Z

2017-01-24

Increased expression of CD147 in pancreatic cancer has been proposed to play a critical role in cancer progression via CD147 chaperone function for lactate monocarboxylate transporters (MCTs). Here, we show for the first time that CD147 interacts with membrane transporters beyond MCTs and exhibits a protective role for several of its interacting partners. CD147 prevents its interacting partner's proteasome-dependent degradation and incorrect plasma membrane localization through the CD147 transmembrane (TM) region. The interactions with transmembrane small molecule and ion transporters identified here indicate a central role of CD147 in pancreatic cancer metabolic reprogramming, particularly with respect to amino acid anabolism and calcium signaling. Importantly, CD147 genetic ablation prevents pancreatic cancer cell proliferation and tumor growth in vitro and in vivo in conjunction with metabolic rewiring towards amino acid anabolism, thus paving the way for future combined pharmacological treatments.

VTrans Small Culvert Inventory - Culverts

Data.gov (United States)

Vermont Center for Geographic Information — Vermont Agency of Transportation Small Culvert Inventory: Culverts. This data contains small culverts locations along VTrans maintained roadways. The data was...

Fluid transport with time on peritoneal dialysis: the contribution of free water transport and solute coupled water transport

NARCIS (Netherlands)

Coester, Annemieke M.; Smit, Watske; Struijk, Dirk G.; Krediet, Raymond T.

2009-01-01

Ultrafiltration in peritoneal dialysis occurs through endothelial water channels (free water transport) and together with solutes across small pores: solute coupled water transport. A review is given of cross-sectional studies and on the results of longitudinal follow-up

Kinetics of transmembrane transport of small molecules into electropermeabilized cells.

Science.gov (United States)

Pucihar, Gorazd; Kotnik, Tadej; Miklavcic, Damijan; Teissié, Justin

2008-09-15

The transport of propidium iodide into electropermeabilized Chinese hamster ovary cells was monitored with a photomultiplier tube during and after the electric pulse. The influence of pulse amplitude and duration on the transport kinetics was investigated with time resolutions from 200 ns to 4 ms in intervals from 400 micros to 8 s. The transport became detectable as early as 60 micros after the start of the pulse, continued for tens of seconds after the pulse, and was faster and larger for higher pulse amplitudes and/or longer pulse durations. With fixed pulse parameters, transport into confluent monolayers of cells was slower than transport into suspended cells. Different time courses of fluorescence increase were observed during and at various times after the pulse, reflecting different transport mechanisms and ongoing membrane resealing. The data were compared to theoretical predictions of the Nernst-Planck equation. After a delay of 60 micros, the time course of fluorescence during the pulse was approximately linear, supporting a mainly electrophoretic solution of the Nernst-Planck equation. The time course after the pulse agreed with diffusional solution of the Nernst-Planck equation if the membrane resealing was assumed to consist of three distinct components, with time constants in the range of tens of microseconds, hundreds of microseconds, and tens of seconds, respectively.

Impact of electro-magnetic stabilization, small- scale turbulence and multi-scale interactions on heat transport in JET

Science.gov (United States)

Mantica, Paola

2016-10-01

Heat transport experiments in JET, based on ICRH heat flux scans and temperature modulation, have confirmed the importance of two transport mechanisms that are often neglected in modeling experimental results, but are crucial to reach agreement between theory and experiment and may be significant in ITER. The first mechanism is the stabilizing effect of the total pressure gradient (including fast ions) on ITG driven ion heat transport. Such stabilization is found in non-linear gyro-kinetic electro-magnetic simulations using GENE and GYRO, and is the explanation for the observed loss of ion stiffness in the core of high NBI-power JET plasmas. The effect was recently observed also in JET plasmas with dominant ICRH heating and small rotation, due to ICRH fast ions, which is promising for ITER. Such mechanism dominates over ExB flow shear in the core and needs to be included in quasi-linear models to increase their ability to capture the relevant physics. The second mechanism is the capability of small- scale ETG instabilities to carry a significant fraction of electron heat. A decrease in Te peaking is observed when decreasing Zeff Te/Ti, which cannot be ascribed to TEMs but is in line with ETGs. Non-linear GENE single-scale simulations of ETGs and ITG/TEMs show that the ITG/TEM electron heat flux is not enough to match experiment. TEM stiffness is also much lower than measured. In the ETG single scale simulations the external flow shear is used to saturate the ETG streamers. Multi-scale simulations are ongoing, in which the ion zonal flows are the main saturating mechanism for ETGs. These costly simulations should provide the final answer on the importance of ETG-driven electron heat flux in JET. with JET contributors [F.Romanelli, Proc.25thIAEA FEC]. Supported by EUROfusion Grant 633053.

Theory of novel normal and superconducting states in doped oxide high-Tc superconductors

International Nuclear Information System (INIS)

Dzhumanov, S.

2001-10-01

A consistent and complete theory of the novel normal and superconducting (SC) states of doped high-T c superconductors (HTSC) is developed by combining the continuum model of carrier self-trapping, the tight-binding model and the novel Fermi-Bose-liquid (FBL) model. The ground-state energy of carriers in lightly doped HTSC is calculated within the continuum model and adiabatic approximation using the variational method. The destruction of the long-range antiferromagnetic (AF) order at low doping x≥ x cl ≅0.015, the formation of the in-gap states or bands and novel (bi)polaronic insulating phases at x c2 ≅0.06-0.08, and the new metal- insulator transition at x≅x c2 in HTSC are studied within the continuum model of impurity (defect) centers and large (bi)polarons by using the appropriate tight-binding approximations. It is found that the three-dimensional (3d) large (bi)polarons are formed at ε ∞ /ε 0 ≤0.1 and become itinerant when the (bi)polaronic insulator-to-(bi)polaronic metal transitions occur at x x c2 . We show that the novel pseudogapped metallic and SC states in HTSC are formed at x c2 ≤x≤x p ≅0.20-0.24. We demonstrate that the large polaronic and small BCS-like pairing pseudogaps opening in the excitation spectrum of underdoped (x c2 BCS =0.125), optimally doped (x BCS o ≅0.20) and overdoped (x>x o ) HTSC above T c are unrelated to superconductivity and they are responsible for the observed anomalous optical, transport, magnetic and other properties of these HTSC. We develop the original two-stage FBL model of novel superconductivity describing the combined novel BCS-like pairing scenario of fermions and true superfluid (SF) condensation scenario of composite bosons (i.e. bipolarons and cooperons) in any Fermi-systems, where the SF condensate gap Δ B and the BCS-like pairing pseudogap Δ F have different origins. The pair and single particle condensations of attracting 3d and two- dimensional (2d) composite bosons are responsible for

Small substrate transport and mechanism of a molybdate ATP binding cassette transporter in a lipid environment.

Science.gov (United States)

Rice, Austin J; Harrison, Alistair; Alvarez, Frances J D; Davidson, Amy L; Pinkett, Heather W

2014-05-23

Embedded in the plasma membrane of all bacteria, ATP binding cassette (ABC) importers facilitate the uptake of several vital nutrients and cofactors. The ABC transporter, MolBC-A, imports molybdate by passing substrate from the binding protein MolA to a membrane-spanning translocation pathway of MolB. To understand the mechanism of transport in the biological membrane as a whole, the effects of the lipid bilayer on transport needed to be addressed. Continuous wave-electron paramagnetic resonance and in vivo molybdate uptake studies were used to test the impact of the lipid environment on the mechanism and function of MolBC-A. Working with the bacterium Haemophilus influenzae, we found that MolBC-A functions as a low affinity molybdate transporter in its native environment. In periods of high extracellular molybdate concentration, H. influenzae makes use of parallel molybdate transport systems (MolBC-A and ModBC-A) to take up a greater amount of molybdate than a strain with ModBC-A alone. In addition, the movement of the translocation pathway in response to nucleotide binding and hydrolysis in a lipid environment is conserved when compared with in-detergent analysis. However, electron paramagnetic resonance spectroscopy indicates that a lipid environment restricts the flexibility of the MolBC translocation pathway. By combining continuous wave-electron paramagnetic resonance spectroscopy and substrate uptake studies, we reveal details of molybdate transport and the logistics of uptake systems that employ multiple transporters for the same substrate, offering insight into the mechanisms of nutrient uptake in bacteria. © 2014 by The American Society for Biochemistry and Molecular Biology, Inc.

Tracking of Short Distance Transport Pathways in Biological Tissues by Ultra-Small Nanoparticles

Science.gov (United States)

Segmehl, Jana S.; Lauria, Alessandro; Keplinger, Tobias; Berg, John K.; Burgert, Ingo

2018-03-01

In this work, ultra-small europium-doped HfO2 nanoparticles were infiltrated into native wood and used as trackers for studying penetrability and diffusion pathways in the hierarchical wood structure. The high electron density, laser induced luminescence, and crystallinity of these particles allowed for a complementary detection of the particles in the cellular tissue. Confocal Raman microscopy and high-resolution synchrotron scanning wide-angle X-ray scattering (WAXS) measurements were used to detect the infiltrated particles in the native wood cell walls. This approach allows for simultaneously obtaining chemical information of the probed biological tissue and the spatial distribution of the integrated particles. The in-depth information about particle distribution in the complex wood structure can be used for revealing transport pathways in plant tissues, but also for gaining better understanding of modification treatments of plant scaffolds aiming at novel functionalized materials.

Impact of the electron-transport layer on the performance of solution-processed small-molecule organic solar cells.

Science.gov (United States)

Long, Guankui; Wan, Xiangjian; Kan, Bin; Hu, Zhicheng; Yang, Xuan; Zhang, Yi; Zhang, Mingtao; Wu, Hongbing; Huang, Fei; Su, Shijian; Cao, Yong; Chen, Yongsheng

2014-08-01

Although the performance of polymer solar cells has been improved significantly recently through careful optimization with different interlayers for the same materials, more improvement is needed in this respect for small-molecule-based solar cells, particularly for the electron-transport layers (ETLs). In this work, three different solution-processed ETLs, PFN, ZnO nanoparticles, and LiF, were investigated and compared in the performance of small-molecule-based devices, and power conversion efficiencies (PCEs) of 8.32, 7.30, and 7.38% were achieved, respectively. The mechanism for the ETL-induced enhancement has been studied, and different ETLs have a significantly different impact on the device performance. The clearly improved performance of PFN is attributed to the combination of reduced bimolecular recombination and increased effective photon absorption in the active layer. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Small scale smugglers in Tamaulipas, Mexico

Directory of Open Access Journals (Sweden)

Simón Pedro Izcara Palacios

2013-07-01

Full Text Available Small-scale part-time smugglers are embedded in the migrant community itself. They work in the United States for several months before returning to their place of origin to organize, with the help of several assistants, a small group of migrants, who are transported where the coyotes themselves are going. This article analyses small-scale smuggling carried out by Tamaulipas' polleros, who transport to the United States, one or a few times per year, migrants from their hometowns or other neighboring areas in order to be employed in the farming sector.

Transport properties of Pb-doped Bi4Sr3Ca3Cu4Ox semiconducting glasses and glass-ceramic superconductors

International Nuclear Information System (INIS)

Chatterjee, S.; Banerjee, S.; Mollah, S.; Chaudhuri, B.K.

1996-01-01

Electrical conductivity and thermoelectric power (TEP) of the as-quenched and annealed (at 500 degree C for 10 h and 840 degree C for 24 h) Bi 4-n Pb n Sr 3 Ca 3 Cu 4 O x (x = 0 endash 1.0) glasses have been measured. The dc conductivity data of the as-quenched and the partially annealed (at 500 degree C) glasses can be explained by considering the small-polaron hopping conduction mechanism which is found to change from the nonadiabatic to the adiabatic regime with annealing the glasses at 500 degree C. This change over is due to the presence of microcrystals in the partially annealed glasses as observed from x-ray-diffraction and scanning electron microscopic studies. This adiabatic behavior is also visualized even for some as-quenched glasses having a very small amount of the more conducting microcrystalline phase. All the 840 degree C annealed glasses are superconductors with T c between 110 and 115 K. The Seebeck coefficient (S) of the partially annealed glass system is found to be positive and increases linearly with temperature. The S values of the corresponding glass-ceramic superconductors showing broad peaks around T c . A change over in the values of S from positive (below ∼290 K) to negative (above ∼290 K) indicates the coexistence of both electrons and holes in these superconductors. The TEP data can be fitted with both the two-band model of Forro et al. [Solid State Commun. 73, 501 (1990)] and the Nagaosa-Lee model [Phys. Rev. Lett. 64, 2450 (1990)]. Therefore, the bosonic contribution in the transport properties of these superconductors, as suggested by the Nagaosa-Lee model, is supported. copyright 1996 The American Physical Society

Human peptide transporters

DEFF Research Database (Denmark)

Nielsen, Carsten Uhd; Brodin, Birger; Jørgensen, Flemming Steen

2002-01-01

Peptide transporters are epithelial solute carriers. Their functional role has been characterised in the small intestine and proximal tubules, where they are involved in absorption of dietary peptides and peptide reabsorption, respectively. Currently, two peptide transporters, PepT1 and PepT2, wh...

The Small Aircraft Transportation System (SATS), Higher Volume Operations (HVO) Off-Nominal Operations

Science.gov (United States)

Baxley, B.; Williams, D.; Consiglio, M.; Conway, S.; Adams, C.; Abbott, T.

2005-01-01

The ability to conduct concurrent, multiple aircraft operations in poor weather, at virtually any airport, offers an important opportunity for a significant increase in the rate of flight operations, a major improvement in passenger convenience, and the potential to foster growth of charter operations at small airports. The Small Aircraft Transportation System, (SATS) Higher Volume Operations (HVO) concept is designed to increase traffic flow at any of the 3400 nonradar, non-towered airports in the United States where operations are currently restricted to one-in/one-out procedural separation during Instrument Meteorological Conditions (IMC). The concept's key feature is pilots maintain their own separation from other aircraft using procedures, aircraft flight data sent via air-to-air datalink, cockpit displays, and on-board software. This is done within the Self-Controlled Area (SCA), an area of flight operations established during poor visibility or low ceilings around an airport without Air Traffic Control (ATC) services. The research described in this paper expands the HVO concept to include most off-nominal situations that could be expected to occur in a future SATS environment. The situations were categorized into routine off-nominal operations, procedural deviations, equipment malfunctions, and aircraft emergencies. The combination of normal and off-nominal HVO procedures provides evidence for an operational concept that is safe, requires little ground infrastructure, and enables concurrent flight operations in poor weather.

The effects of optical phonon on the binding energy of bound polaron in a wurtzite ZnO/MgxZn1−xO quantum well

International Nuclear Information System (INIS)

Zhao, Feng-Qi; Guo, Zi-Zheng; Zhu, Jun

2014-01-01

An improved Lee-Low-Pines intermediate coupling method is used to study the energies and binding energies of bound polarons in a wurtzite ZnO/Mg x Zn 1−x O quantum well. The contributions from different branches of long-wave optical phonons, i.e., confined optical phonons, interface optical phonons, and half-space optical phonons are considered. In addition to electron-phonon interaction, the impurity-phonon interaction, and the anisotropy of material parameters, such as phonon frequency, electron effective mass, and dielectric constant, are also included in our computation. Ground-state energies, binding energies and detailed phonon contributions from various phonons as functions of well width, impurity position and composition are presented. Our result suggests that total phonon contribution to ground state and binding energies in the studied wurtzite ZnO/Mg 0.3 Zn 0.7 O quantum wells varies between 28–23 meV and 62–45 meV, respectively, which are much larger than the corresponding values (about 3.2–1.8 meV and 1.6–0.3 meV) in GaAs/Al 0.3 Ga 0.7 As quantum wells. For a narrower quantum well, the phonon contribution mainly comes from interface and half-space phonons, for a wider quantum well, most of phonon contribution originates from confined phonons. The contribution from all the phonon modes to binding energies increases slowly either when impurity moves far away from the well center in the z direction or with the increase in magnesium composition (x). It is found that different phonons have different influences on the binding energies of bound polarons. Furthermore, the phonon contributions to binding energies as functions of well width, impurity position, and composition are very different from one another. In general, the electron-optical phonon interaction and the impurity center-optical phonon interaction play an important role in electronic states of ZnO-based quantum wells and cannot be neglected.

Thermoelectric effects in molecular quantum dots with contacts

Czech Academy of Sciences Publication Activity Database

Koch, T.; Loos, Jan; Fehske, H.

2014-01-01

Roč. 89, č. 15 (2014), "155133-1"-"155133-11" ISSN 1098-0121 Institutional support: RVO:68378271 Keywords : theory of electronic transport * scattering mechanisms * polarons and electron-phonon interactions * quantum dots Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.736, year: 2014

A coupled model of transport-reaction-mechanics with trapping. Part I - Small strain analysis

Science.gov (United States)

Salvadori, A.; McMeeking, R.; Grazioli, D.; Magri, M.

2018-05-01

A fully coupled model for mass and heat transport, mechanics, and chemical reactions with trapping is proposed. It is rooted in non-equilibrium rational thermodynamics and assumes that displacements and strains are small. Balance laws for mass, linear and angular momentum, energy, and entropy are stated. Thermodynamic restrictions are identified, based on an additive strain decomposition and on the definition of the Helmholtz free energy. Constitutive theory and chemical kinetics are studied in order to finally write the governing equations for the multi-physics problem. The field equations are solved numerically with the finite element method, stemming from a three-fields variational formulation. Three case-studies on vacancies redistribution in metals, hydrogen embrittlement, and the charge-discharge of active particles in Li-ion batteries demonstrate the features and the potential of the proposed model.

Quantitative Modeling of Membrane Transport and Anisogamy by Small Groups Within a Large-Enrollment Organismal Biology Course

Directory of Open Access Journals (Sweden)

Eric S. Haag

2016-12-01

Full Text Available Quantitative modeling is not a standard part of undergraduate biology education, yet is routine in the physical sciences. Because of the obvious biophysical aspects, classes in anatomy and physiology offer an opportunity to introduce modeling approaches to the introductory curriculum. Here, we describe two in-class exercises for small groups working within a large-enrollment introductory course in organismal biology. Both build and derive biological insights from quantitative models, implemented using spreadsheets. One exercise models the evolution of anisogamy (i.e., small sperm and large eggs from an initial state of isogamy. Groups of four students work on Excel spreadsheets (from one to four laptops per group. The other exercise uses an online simulator to generate data related to membrane transport of a solute, and a cloud-based spreadsheet to analyze them. We provide tips for implementing these exercises gleaned from two years of experience.

Transport of radiolabelled glycoprotein to cell surface and lysosome-like bodies of absorptive cells in cultured small-intestinal tissue from normal subjects and patients with a lysosomal storage disease

International Nuclear Information System (INIS)

Ginsel, L.A.; Onderwater, J.J.M.; Daems, W.T.

1979-01-01

The transport of 3 H-fucose and 3 H-glucosamine-labelled glycoproteins in the absorptive cells of cultured human small-intestinal tissue was investigated with light- and electron-microscopical autoradiography. The findings showed that these glycoproteins were completed in the Golgi apparatus and transported in small vesicular structures to the apical cytoplasm of these cells. Since this material arrived in the cell coat on the microvilli and in the lysosome-like bodies simultaneously, a crinophagic function of these organelles in the regulation of the transport or secretion of cell-coat material was supported. In the absorptive cells of patients with fucosidosis or Hunter's type of lysosomal storage disease, a similar transport of cell-coat material to the lysosome-like bodies and a congenital defect of a lysosomal hydrolase normally involved in the degradation of cell-coat material, can explain the accumulation of this material in the dense bodies. (orig.) [de

Modulation of small intestinal phosphate transporter by dietary supplements of mineral phosphorus and phytase in broilers.

Science.gov (United States)

Huber, Korinna; Zeller, Ellen; Rodehutscord, Markus

2015-05-01

Dietary phosphorus (P) is known as a main modulator of phosphate (Pi) transporter expression. The effect of supplemented mineral P with or without phytase on protein expression of two sodium-dependent Pi (NaPi) transporters and a calcium channel was studied in the small intestine of broilers. Thirty-six broilers were randomly assigned to six different diets at 15 days of age. Two levels of total P (tP, adjusted by monocalcium phosphate (MCP) supplementation), 0.39% (BD-) and 0.47% (BD+) were fed until day 25; and at each tP level, three levels of phytase were used with 0, 500, and 12,500 FTU/kg of an E. coli phytase. Mucosa samples from jejunum and ileum were taken and apical membranes were isolated by MgCl2 precipitation. Protein expression of NaPi IIb, NaPi type III (PiT1) and the calcium channel TRPV6 were semiquantitatively measured by Western blotting and jejunal mucosal phytase activity by measurement of Pi release. The jejunal NaPi IIb transporter was expressed with two distinct bands, which were modulated differently by diet. NaPi IIb Band1 increased (P phytase supplementation but was not affected by MCP supplementation. This inverse modulation of Band1 and Band2 was significantly related to the amount of net absorbed P with higher expression of Band1 at higher amounts of net absorbed P. In addition, a second Pi transporter, PiT1, was detected in which ileal expression decreased (P phytase supplementation. The expression of the calcium channel TRPV6 was increased in BD+ groups. A trend for an interaction between MCP and phytase supplementation on mucosal phytase activity was observed (P = 0.079) with a decrease in activity when BD+ with 12,500 FTU/kg phytase was fed. Chicken intestinal epithelial cells responded to dietary supplemented phytase and MCP by changing the Pi transporter expression in apical membranes. In conclusion, availability of Pi is most likely the key modulator of transporter protein expression. However, a contribution of lower inositol

Transport properties of Na doped La sub 1 sub - sub x Ca sub x sub - sub y Na sub y MnO sub 3 measured in a pulsed magnetic field

CERN Document Server

Bhattacharya, S; Pal, S; Chatterjee, P; Mukherjee, R K; Chaudhuri, B K

2002-01-01

Temperature-dependent magnetization and magnetoresistance of the Na doped La sub 1 sub - sub x Ca sub x sub sub - sub y Na sub y MnO sub 3 type samples with x=0.3 and 0 T sub p up to 320 K) conductivity data satisfy the variable range hopping (VRH) model. For T > 320 the small polaron hopping model is more appropriate than the VRH model. Even with a very small change of y, the density of states at the Fermi level N(E sub F) changes considerably. The resistivity of these materials measured under pulsed and continuous DC magnetic fields behaves in an identical fashion. The relaxation time (decay time of the magnetic pulse within the sample) varies with field strength, which indicates that, with a change of magnetic field, the ordering of spin in the ferromagnetic regime changes.

Excitations Partition into Two Distinct Populations in Bulk Perovskites

Energy Technology Data Exchange (ETDEWEB)

Wang, Lili [Department of Chemistry, The James Franck Institute, The Institute for Biophysical Dynamics, The University of Chicago, Chicago IL 60637 USA; Brawand, Nicholas P. [The Institute for Molecular Engineering, The University of Chicago, Chicago IL 60637 USA; Vörös, Márton [Materials Science Division, Argonne National Laboratory, Lemont IL 60439 USA; Dahlberg, Peter D. [Department of Chemistry, The James Franck Institute, The Institute for Biophysical Dynamics, The University of Chicago, Chicago IL 60637 USA; Chemical Sciences and Engineering Division, Argonne National Laboratory, Lemont IL 60439 USA; Otto, John P. [Department of Chemistry, The James Franck Institute, The Institute for Biophysical Dynamics, The University of Chicago, Chicago IL 60637 USA; Williams, Nicholas E. [Department of Chemistry, The James Franck Institute, The Institute for Biophysical Dynamics, The University of Chicago, Chicago IL 60637 USA; Tiede, David M. [Chemical Sciences and Engineering Division, Argonne National Laboratory, Lemont IL 60439 USA; Galli, Giulia [The Institute for Molecular Engineering, The University of Chicago, Chicago IL 60637 USA; Materials Science Division, Argonne National Laboratory, Lemont IL 60439 USA; Engel, Gregory S. [Department of Chemistry, The James Franck Institute, The Institute for Biophysical Dynamics, The University of Chicago, Chicago IL 60637 USA

2018-01-09

Organolead halide perovskites convert optical excitations to charge carriers with remarkable efficiency in optoelectronic devices. Previous research predominantly documents dynamics in perovskite thin films; however, extensive disorder in this platform may obscure the observed carrier dynamics. Here, carrier dynamics in perovskite single-domain single crystals is examined by performing transient absorption spectroscopy in a transmissive geometry. Two distinct sets of carrier populations that coexist at the same radiation fluence, but display different decay dynamics, are observed: one dominated by second-order recombination and the other by third-order recombination. Based on ab initio simulations, this observation is found to be most consistent with the hypothesis that free carriers and localized carriers coexist due to polaron formation. The calculations suggest that polarons will form in both CH3NH3PbBr3 and CH3NH3PbI3 crystals, but that they are more pronounced in CH3NH3PbBr3. Single-crystal CH3NH3PbBr3 could represent the key to understanding the impact of polarons on the transport properties of perovskite optoelectronic devices.

A note on conservative transport in anisotropic, heterogeneous porous media in the presence of small-amplitude transients

Science.gov (United States)

Naff, R.L.

1998-01-01

The late-time macrodispersion coefficients are obtained for the case of flow in the presence of a small-scale deterministic transient in a three-dimensional anisotropic, heterogeneous medium. The transient is assumed to affect only the velocity component transverse to the mean flow direction and to take the form of a periodic function. For the case of a highly stratified medium, these late-time macrodispersion coefficients behave largely as the standard coefficients used in the transport equation. Only in the event that the medium is isotropic is it probable that significant deviations from the standard coefficients would occur.

Polaron effects on the linear and the nonlinear optical absorption coefficients and refractive index changes in cylindrical quantum dots with applied magnetic field

International Nuclear Information System (INIS)

Wu Qingjie; Guo Kangxian; Liu Guanghui; Wu Jinghe

2013-01-01

Polaron effects on the linear and the nonlinear optical absorption coefficients and refractive index changes in cylindrical quantum dots with the radial parabolic potential and the z-direction linear potential with applied magnetic field are theoretically investigated. The optical absorption coefficients and refractive index changes are presented by using the compact-density-matrix approach and iterative method. Numerical calculations are presented for GaAs/AlGaAs. It is found that taking into account the electron-LO-phonon interaction, not only are the linear, the nonlinear and the total optical absorption coefficients and refractive index changes enhanced, but also the total optical absorption coefficients are more sensitive to the incident optical intensity. It is also found that no matter whether the electron-LO-phonon interaction is considered or not, the absorption coefficients and refractive index changes above are strongly dependent on the radial frequency, the magnetic field and the linear potential coefficient.

Inventory theory, mode choice and network structure in freight transport

NARCIS (Netherlands)

Combes, F.; Tavasszy, L.A.

2016-01-01

In passenger transport, hub-and-spoke networks allow the transportation of small passenger flows with competitive frequencies, in a way that direct line networks cannot. Equivalently, in freight transport, it can be expected that small shipper-receiver flows of high added value commodities transit

The Small Aircraft Transportation System (SATS), Higher Volume Operations (HVO) Concept and Research

Science.gov (United States)

Baxley, B.; Williams, D.; Consiglio, M.; Adams, C.; Abbott, T.

2005-01-01

The ability to conduct concurrent, multiple aircraft operations in poor weather at virtually any airport offers an important opportunity for a significant increase in the rate of flight operations, a major improvement in passenger convenience, and the potential to foster growth of operations at small airports. The Small Aircraft Transportation System, (SATS) Higher Volume Operations (HVO) concept is designed to increase capacity at the 3400 non-radar, non-towered airports in the United States where operations are currently restricted to one-in/one-out procedural separation during low visibility or ceilings. The concept s key feature is that pilots maintain their own separation from other aircraft using air-to-air datalink and on-board software within the Self-Controlled Area (SCA), an area of flight operations established during poor visibility and low ceilings around an airport without Air Traffic Control (ATC) services. While pilots self-separate within the SCA, an Airport Management Module (AMM) located at the airport assigns arriving pilots their sequence based on aircraft performance, position, winds, missed approach requirements, and ATC intent. The HVO design uses distributed decision-making, safe procedures, attempts to minimize pilot and controller workload, and integrates with today's ATC environment. The HVO procedures have pilots make their own flight path decisions when flying in Instrument Metrological Conditions (IMC) while meeting these requirements. This paper summarizes the HVO concept and procedures, presents a summary of the research conducted and results, and outlines areas where future HVO research is required. More information about SATS HVO can be found at http://ntrs.nasa.gov.

Criticality coefficient calculation for a small PWR using Monte Carlo Transport Code

Energy Technology Data Exchange (ETDEWEB)

Trombetta, Debora M.; Su, Jian, E-mail: dtrombetta@nuclear.ufrj.br, E-mail: sujian@nuclear.ufrj.br [Coordenacao dos Programas de Pos-Graduacao em Engenharia (COPPE/UFRJ), Rio de Janeiro, RJ (Brazil); Chirayath, Sunil S., E-mail: sunilsc@tamu.edu [Department of Nuclear Engineering and Nuclear Security Science and Policy Institute, Texas A and M University, TX (United States)

2015-07-01

Computational models of reactors are increasingly used to predict nuclear reactor physics parameters responsible for reactivity changes which could lead to accidents and losses. In this work, preliminary results for criticality coefficient calculation using the Monte Carlo transport code MCNPX were presented for a small PWR. The computational modeling developed consists of the core with fuel elements, radial reflectors, and control rods inside a pressure vessel. Three different geometries were simulated, a single fuel pin, a fuel assembly and the core, with the aim to compare the criticality coefficients among themselves.The criticality coefficients calculated were: Doppler Temperature Coefficient, Coolant Temperature Coefficient, Coolant Void Coefficient, Power Coefficient, and Control Rod Worth. The coefficient values calculated by the MCNP code were compared with literature results, showing good agreement with reference data, which validate the computational model developed and allow it to be used to perform more complex studies. Criticality Coefficient values for the three simulations done had little discrepancy for almost all coefficients investigated, the only exception was the Power Coefficient. Preliminary results presented show that simple modelling as a fuel assembly can describe changes at almost all the criticality coefficients, avoiding the need of a complex core simulation. (author)

Understanding Transportation Choice of Families with Small Children in Oslo

OpenAIRE

Miller, Scott Thomas

2011-01-01

This qualitative study took place in the Oslo area and focused on the transportation mode choices of parents with children in day care. Understanding why parents choose a certain mode of transport was the main objective of this research. Answers to the question of why were looked at in the context of theories stemming from urban planning, sociology, psychology amongst others. The findings show that while geographical distances did have the largest impact on how people travelled around work h...

Rural Public Transportation: An Instructional Module.

Science.gov (United States)

Hayden, Linda

A concept-based introduction to rural public transportation is provided in this instructional module for undergraduate and graduate transportation-related courses for disciplines such as engineering, business, sociology, and technology. Rural public transportation involves systems in rural and small urban areas with populations under 50,000…

Propagation effect on photoluminescence of spin-aligned high-density exciton magnetic polarons in Cd{sub 0.8}Mn{sub 0.2}Te

Energy Technology Data Exchange (ETDEWEB)

Nagata, M.; Hirase, T.; Miyajima, K., E-mail: miyajima@rs.tus.ac.jp

2017-04-15

Characteristics of photoluminescence (PL) originating from high-density exciton magnetic polarons (HD-EMPs) for Cd{sub 0.8}Mn{sub 0.2}Te were investigated. The PL appeared only under selective excitation of the localized excitons, and the intensity increased superlinearly with the excitation density. Directivity of the PL was revealed. Therefore, it is concluded that the superlinear increase in the PL intensity resulted from a light amplification process owing to the stimulated emission. In addition, the existence of birefringence that originates from a uniaxial gradation of the Mn ion concentrations was revealed. The degree of circular polarization (DOCP) of the PL is important to obtain the spin alignment state of the HD-EMPs. The initial DOCPs of the PL were examined by removing a variation of the polarization during propagation inside the sample. As a result, it was found that the initial DOCPs of the PL were almost constant for the photon energy. The obtained initial DOCPs exhibited different values for right- and left-circularly polarized excitations, which resulted from different mechanisms of the spin alignment of the HD-EMPs.

A radioactive waste transportation package monitoring system for normal transport and accident emergency response conditions

International Nuclear Information System (INIS)

Brown, G.S.; Cashwell, J.W.; Apple, M.L.

1991-01-01

Shipments of radioactive material (RAM) constitute but a small fraction of the total hazardous materials shipped in the United States each year. Public perception, however, of the potential consequences of a release from a transportation package containing RAM has resulted in significant regulation of transport operations, both to ensure the integrity of a package in accident conditions and to place operational constraints on the shipper. Much of this attention has focused on shipments of spent nuclear fuel and high level wastes which, although comprising a very small number of total shipments, constitute a majority of the total curies transported on an annual basis. This report discusses the shipment of these highly radioactive materials

Involvement of Multiple Transporters-mediated Transports in Mizoribine and Methotrexate Pharmacokinetics

Directory of Open Access Journals (Sweden)

Teruo Murakami

2012-08-01

Full Text Available Mizoribine is administered orally and excreted into urine without being metabolized. Many research groups have reported a linear relationship between the dose and peak serum concentration, between the dose and AUC, and between AUC and cumulative urinary excretion of mizoribine. In contrast, a significant interindividual variability, with a small intraindividual variability, in oral bioavailability of mizoribine is also reported. The interindividual variability is mostly considered to be due to the polymophisms of transporter genes. Methotrexate (MTX is administered orally and/or by parenteral routes, depending on the dose. Metabolic enzymes and multiple transporters are involved in the pharmacokinetics of MTX. The oral bioavailability of MTX exhibits a marked interindividual variability and saturation with increase in the dose of MTX, with a small intraindividual variability, where the contribution of gene polymophisms of transporters and enzymes is suggested. Therapeutic drug monitoring of both mizoribine and MTX is expected to improve their clinical efficacy in the treatment of rheumatoid arthritis.

Protein Restriction with Amino Acid-Balanced Diets Shrinks Circulating Pool Size of Amino Acid by Decreasing Expression of Specific Transporters in the Small Intestine.

Directory of Open Access Journals (Sweden)

Kai Qiu

Full Text Available Dietary protein restriction is not only beneficial to health and longevity in humans, but also protects against air pollution and minimizes feeding cost in livestock production. However, its impact on amino acid (AA absorption and metabolism is not quite understood. Therefore, the study aimed to explore the effect of protein restriction on nitrogen balance, circulating AA pool size, and AA absorption using a pig model. In Exp.1, 72 gilts weighting 29.9 ± 1.5 kg were allocated to 1 of the 3 diets containing 14, 16, or 18% CP for a 28-d trial. Growth (n = 24, nitrogen balance (n = 6, and the expression of small intestinal AA and peptide transporters (n = 6 were evaluated. In Exp.2, 12 barrows weighting 22.7 ± 1.3 kg were surgically fitted with catheters in the portal and jejunal veins as well as the carotid artery and assigned to a diet containing 14 or 18% CP. A series of blood samples were collected before and after feeding for determining the pool size of circulating AA and AA absorption in the portal vein, respectively. Protein restriction did not sacrifice body weight gain and protein retention, since nitrogen digestibility was increased as dietary protein content reduced. However, the pool size of circulating AA except for lysine and threonine, and most AA flux through the portal vein were reduced in pigs fed the low protein diet. Meanwhile, the expression of peptide transporter 1 (PepT-1 was stimulated, but the expression of the neutral and cationic AA transporter systems was depressed. These results evidenced that protein restriction with essential AA-balanced diets, decreased AA absorption and reduced circulating AA pool size. Increased expression of small intestinal peptide transporter PepT-1 could not compensate for the depressed expression of jejunal AA transporters for AA absorption.

Asymptotic limits of a statistical transport description

International Nuclear Information System (INIS)

Malvagi, F.; Levermore, C.D.; Pomraning, G.C.; Department of Mathematics, University of Arizona, Tucson, AZ 85721)

1989-01-01

We consider three different asymptotic limits of a model describing linear particle transport in a stochastic medium consisting of two randomly mixed immiscible fluids. These three limits are: (1) the fluid packets are small compared to the particle mean free path in the packet; (2) a small amount of large cross section fluid is admixed with a large amount of small cross section fluid; and (3) the angular dependence of the intensity (angular flux) is nearly isotropic. The first two limits reduce the underlying model, which consists of two coupled transport equations, to a single transport equation of the usual form. The third limit yields a two-equation diffusion approximation, and a boundary layer analysis gives boundary conditions for these two coupled diffusion equations

Thermoelectric Power and Normal State of the High - Tc Copper Oxides

International Nuclear Information System (INIS)

Goodenough, J.B.; Zhou, J.S.; Besuker, G.I.

1995-01-01

The temperature dependence of the thermoelectric power and resistance for the system La 2-x Sr x CuO 4 , 0≤ x ≤0.30, are presented and interpreted. The following model emerges: (1) In the underdoped region 0 2 sheets by Sr substitution form non-adiabatic large polarons containing 6 ± 1 Cu atoms; a cooperative pseudo Jahn-Teller vibronic coupling increases the size of the polaron, but a contraction of the equilibrium Cu-O distance inside the polaron limits the size. Polaron motion occurs via a tunneling of one Cu - O bond at a time. A dynamic segregation into a hole-poor parent phase and a hole-rich superconductive phase occurs below 150K. (2) The range 0.10 2 sheet. In the polaron liquid, pairs of polarons form zig-zag polaron chains; these chains form an ordered array of alternating polaron and parent-phase stripes. Complete ordering of the stripes occurs below Tc. (4) In the overdoped region x>0.27, polaron overcrowding suppresses polaron formation; however, the vibronic coupling stabilized by the dynamic pseudo Jahn -Teller deformations persists to give unusual properties to the overdoped metallic phase. (author)

Monte Carlo study of efficiency roll-off of phosphorescent organic light-emitting diodes: Evidence for dominant role of triplet-polaron quenching

Energy Technology Data Exchange (ETDEWEB)

Eersel, H. van, E-mail: h.v.eersel@tue.nl; Coehoorn, R. [Department of Applied Physics, Eindhoven University of Technology, P.O. Box 513, 5600 MB Eindhoven (Netherlands); Philips Research Laboratories, High Tech Campus 4, 5656 AE Eindhoven (Netherlands); Bobbert, P. A.; Janssen, R. A. J. [Department of Applied Physics, Eindhoven University of Technology, P.O. Box 513, 5600 MB Eindhoven (Netherlands)

2014-10-06

We present an advanced molecular-scale organic light-emitting diode (OLED) model, integrating both electronic and excitonic processes. Using this model, we can reproduce the measured efficiency roll-off for prototypical phosphorescent OLED stacks based on the green dye tris[2-phenylpyridine]iridium (Ir(ppy){sub 3}) and the red dye octaethylporphine platinum (PtOEP) and study the cause of the roll-off as function of the current density. Both the voltage versus current density characteristics and roll-off agree well with experimental data. Surprisingly, the results of the simulations lead us to conclude that, contrary to what is often assumed, not triplet-triplet annihilation but triplet-polaron quenching is the dominant mechanism causing the roll-off under realistic operating conditions. Simulations for devices with an optimized recombination profile, achieved by carefully tuning the dye trap depth, show that it will be possible to fabricate OLEDs with a drastically reduced roll-off. It is envisaged that J{sub 90}, the current density at which the efficiency is reduced to 90%, can be increased by almost one order of magnitude as compared to the experimental state-of-the-art.

Monte Carlo study of efficiency roll-off of phosphorescent organic light-emitting diodes: Evidence for dominant role of triplet-polaron quenching

International Nuclear Information System (INIS)

Eersel, H. van; Coehoorn, R.; Bobbert, P. A.; Janssen, R. A. J.

2014-01-01

We present an advanced molecular-scale organic light-emitting diode (OLED) model, integrating both electronic and excitonic processes. Using this model, we can reproduce the measured efficiency roll-off for prototypical phosphorescent OLED stacks based on the green dye tris[2-phenylpyridine]iridium (Ir(ppy) 3 ) and the red dye octaethylporphine platinum (PtOEP) and study the cause of the roll-off as function of the current density. Both the voltage versus current density characteristics and roll-off agree well with experimental data. Surprisingly, the results of the simulations lead us to conclude that, contrary to what is often assumed, not triplet-triplet annihilation but triplet-polaron quenching is the dominant mechanism causing the roll-off under realistic operating conditions. Simulations for devices with an optimized recombination profile, achieved by carefully tuning the dye trap depth, show that it will be possible to fabricate OLEDs with a drastically reduced roll-off. It is envisaged that J 90 , the current density at which the efficiency is reduced to 90%, can be increased by almost one order of magnitude as compared to the experimental state-of-the-art.

Transportation of Hazardous Evidentiary Material.

Energy Technology Data Exchange (ETDEWEB)

Osborn, Douglas.

2005-06-01

This document describes the specimen and transportation containers currently available for use with hazardous and infectious materials. A detailed comparison of advantages, disadvantages, and costs of the different technologies is included. Short- and long-term recommendations are also provided.3 DraftDraftDraftExecutive SummaryThe Federal Bureau of Investigation's Hazardous Materials Response Unit currently has hazardous material transport containers for shipping 1-quart paint cans and small amounts of contaminated forensic evidence, but the containers may not be able to maintain their integrity under accident conditions or for some types of hazardous materials. This report provides guidance and recommendations on the availability of packages for the safe and secure transport of evidence consisting of or contaminated with hazardous chemicals or infectious materials. Only non-bulk containers were considered because these are appropriate for transport on small aircraft. This report will addresses packaging and transportation concerns for Hazardous Classes 3, 4, 5, 6, 8, and 9 materials. If the evidence is known or suspected of belonging to one of these Hazardous Classes, it must be packaged in accordance with the provisions of 49 CFR Part 173. The anthrax scare of several years ago, and less well publicized incidents involving unknown and uncharacterized substances, has required that suspicious substances be sent to appropriate analytical laboratories for analysis and characterization. Transportation of potentially hazardous or infectious material to an appropriate analytical laboratory requires transport containers that maintain both the biological and chemical integrity of the substance in question. As a rule, only relatively small quantities will be available for analysis. Appropriate transportation packaging is needed that will maintain the integrity of the substance, will not allow biological alteration, will not react chemically with the substance being

Transport Phenomena in Gel

Directory of Open Access Journals (Sweden)

Masayuki Tokita

2016-05-01

Full Text Available Gel becomes an important class of soft materials since it can be seen in a wide variety of the chemical and the biological systems. The unique properties of gel arise from the structure, namely, the three-dimensional polymer network that is swollen by a huge amount of solvent. Despite the small volume fraction of the polymer network, which is usually only a few percent or less, gel shows the typical properties that belong to solids such as the elasticity. Gel is, therefore, regarded as a dilute solid because its elasticity is much smaller than that of typical solids. Because of the diluted structure, small molecules can pass along the open space of the polymer network. In addition to the viscous resistance of gel fluid, however, the substance experiences resistance due to the polymer network of gel during the transport process. It is, therefore, of importance to study the diffusion of the small molecules in gel as well as the flow of gel fluid itself through the polymer network of gel. It may be natural to assume that the effects of the resistance due to the polymer network of gel depends strongly on the network structure. Therefore, detailed study on the transport processes in and through gel may open a new insight into the relationship between the structure and the transport properties of gel. The two typical transport processes in and through gel, that is, the diffusion of small molecules due to the thermal fluctuations and the flow of gel fluid that is caused by the mechanical pressure gradient will be reviewed.

Native Small Airways Secrete Bicarbonate

OpenAIRE

Shamsuddin, A. K. M.; Quinton, Paul M.

2014-01-01

Since the discovery of Cl− impermeability in cystic fibrosis (CF) and the cloning of the responsible channel, CF pathology has been widely attributed to a defect in epithelial Cl− transport. However, loss of bicarbonate (HCO3−) transport also plays a major, possibly more critical role in CF pathogenesis. Even though HCO3− transport is severely affected in the native pancreas, liver, and intestines in CF, we know very little about HCO3− secretion in small airways, the principle site of morbidi...

Defects in codoped NiO with gigantic dielectric response

Science.gov (United States)

Wu, Ping; Ligatchev, Valeri; Yu, Zhi Gen; Zheng, Jianwei; Sullivan, Michael B.; Zeng, Yingzhi

2009-06-01

We combine first-principles, statistical, and phenomenological methods to investigate the electronic and dielectric properties of NiO and clarify the nature of the gigantic dielectric response in codoped NiO. Unlike previous models which are dependent on grain-boundary effects, our model based on small polaron hopping in homogeneous material predicts the dielectric permittivity (104-5) for heavily Li- and MD -codoped NiO (MD=Ti,Al,Si) . Furthermore, we reproduce the experimental trends in dielectric properties as a function of the dopants nature and their concentrations, as well as the reported activation energies for the relaxation in Li- and Ti-codoped NiO (0.308 eV or 0.153 eV depending on the Fermi-level position). In this study, we demonstrate that small polaron hopping on dopant levels is the dominant mechanism for the gigantic dielectric response in these codoped NiO.

Segmental dependent transport of low permeability compounds along the small intestine due to P-glycoprotein: the role of efflux transport in the oral absorption of BCS class III drugs.

Science.gov (United States)

Dahan, Arik; Amidon, Gordon L

2009-01-01

The purpose of this study was to investigate the role of P-gp efflux in the in vivo intestinal absorption process of BCS class III P-gp substrates, i.e. high-solubility low-permeability drugs. The in vivo permeability of two H (2)-antagonists, cimetidine and famotidine, was determined by the single-pass intestinal perfusion model in different regions of the rat small intestine, in the presence or absence of the P-gp inhibitor verapamil. The apical to basolateral (AP-BL) and the BL-AP transport of the compounds in the presence or absence of various efflux transporters inhibitors (verapamil, erythromycin, quinidine, MK-571 and fumitremorgin C) was investigated across Caco-2 cell monolayers. P-gp expression levels in the different intestinal segments were confirmed by immunoblotting. Cimetidine and famotidine exhibited segmental dependent permeability through the gut wall, with decreased P(eff) in the distal ileum in comparison to the proximal regions of the intestine. Coperfusion of verapamil with the drugs significantly increased the permeability in the ileum, while no significant change in the jejunal permeability was observed. Both drugs exhibited significantly greater BL-AP than AP-BL Caco-2 permeability, indicative of net mucosal secretion. Concentration dependent decrease of this secretion was obtained by the P-gp inhibitors verapamil, erythromycin and quinidine, while no effect was evident by the MRP2 inhibitor MK-571 and the BCRP inhibitor FTC, indicating that P-gp is the transporter mediates the intestinal efflux of cimetidine and famotidine. P-gp levels throughout the intestine were inversely related to the in vivo permeability of the drugs from the different segments. The data demonstrate that for these high-solubility low-permeability P-gp substrates, P-gp limits in vivo intestinal absorption in the distal segments of the small intestine; however P-gp plays a minimal role in the proximal intestinal segments due to significant lower P-gp expression levels

Synthesis, in vitro and in vivo small-animal SPECT evaluation of novel technetium labeled bile acid analogues to study (altered) hepatic transporter function

International Nuclear Information System (INIS)

Neyt, Sara; Vliegen, Maarten; Verreet, Bjorn; De Lombaerde, Stef; Braeckman, Kim; Vanhove, Christian; Huisman, Maarten Thomas; Dumolyn, Caroline; Kersemans, Ken; Hulpia, Fabian; Van Calenbergh, Serge; Mannens, Geert; De Vos, Filip

2016-01-01

Introduction: Hepatobiliary transport mechanisms are crucial for the excretion of substrate toxic compounds. Drugs can inhibit these transporters, which can lead to drug–drug interactions causing toxicity. Therefore, it is important to assess this early during the development of new drug candidates. The aim of the current study is the (radio)synthesis, in vitro and in vivo evaluation of a technetium labeled chenodeoxycholic and cholic acid analogue: [ 99m Tc]-DTPA-CDCA and [ 99m ]Tc-DTPA-CA, respectively, as biomarker for disturbed transporter functionality. Methods: [99mTc]-DTPA-CDCA([ 99m Tc]-3a) and [99mTc]-DTPA-CA ([ 99m Tc]-3b) were synthesized and evaluated in vitro and in vivo. Uptake of both tracers was investigated in NTCP, OCT1, OATP1B1, OATP1B3 transfected cell lines. K m and V max values were determined and compared to [ 99m Tc]-mebrofenin ([ 99m Tc]-MEB). Efflux was investigated by means of CTRL, MRP2 and BSEP transfected inside-out vesicles. Metabolite analysis was performed using pooled human liver S9. Wild type (n = 3) and rifampicin treated (n = 3) mice were intravenously injected with 37 MBq of tracer. After dynamic small-animal SPECT and short CT acquisitions, time–activity curves of heart, liver, gallbladder and intestines were obtained. Results: We demonstrated that OATP1B1 and OATP1B3 are the involved uptake transporters of both compounds. Both tracers show a higher affinity compared to [ 99m Tc]-MEB, but are in a similar range as endogenous bile acids for OATP1B1 and OATP1B3. [ 99m Tc]-3a shows higher affinities compared to [ 99m Tc]-3b. V max values were lower compared to [ 99m Tc]-MEB, but in the same range as endogenous bile acids. MRP2 was identified as efflux transporter. Less than 7% of both radiotracers was metabolized in the liver. In vitro results were confirmed by in vivo results. Uptake in the liver and efflux to gallbladder + intestines and urinary bladder of both tracers was observed. Transport was inhibited by rifampicin

Transport of peptidomimetic drugs by the intestinal Di/tri-peptide transporter, PepT1

DEFF Research Database (Denmark)

Brodin, Birger; Nielsen, Carsten Uhd; Steffansen, Bente

2002-01-01

The apical membrane of small intestinal enterocytes possess an uptake system for di- and tripeptides. The physiological function of the system is to transport small peptides resulting from digestion of dietary protein. Moreover, due to the broad substrate specificity of the system, it is also cap...

Multiple efflux pumps are involved in the transepithelial transport of colchicine: combined effect of p-glycoprotein and multidrug resistance-associated protein 2 leads to decreased intestinal absorption throughout the entire small intestine.

Science.gov (United States)

Dahan, Arik; Sabit, Hairat; Amidon, Gordon L

2009-10-01

The purpose of this study was to thoroughly characterize the efflux transporters involved in the intestinal permeability of the oral microtubule polymerization inhibitor colchicine and to evaluate the role of these transporters in limiting its oral absorption. The effects of P-glycoprotein (P-gp), multidrug resistance-associated protein 2 (MRP2), and breast cancer resistance protein (BCRP) inhibitors on colchicine bidirectional permeability were studied across Caco-2 cell monolayers, inhibiting one versus multiple transporters simultaneously. Colchicine permeability was then investigated in different regions of the rat small intestine by in situ single-pass perfusion. Correlation with the P-gp/MRP2 expression level throughout different intestinal segments was investigated by immunoblotting. P-gp inhibitors [N-(4-[2-(1,2,3,4-tetrahydro-6,7-dimethoxy-2-isoquinolinyl)ethyl]-phenyl)-9,10-dihydro-5-methoxy-9-oxo-4-acridine carboxamide (GF120918), verapamil, and quinidine], and MRP2 inhibitors [3-[[3-[2-(7-chloroquinolin-2-yl)vinyl]phenyl]-(2-dimethylcarbamoylethylsulfanyl)methylsulfanyl] propionic acid (MK571), indomethacin, and p-aminohippuric acid (p-AH)] significantly increased apical (AP)-basolateral (BL) and decreased BL-AP Caco-2 transport in a concentration-dependent manner. No effect was obtained by the BCRP inhibitors fumitremorgin C (FTC) and pantoprazole. P-gp/MRP2 inhibitors combinations greatly reduced colchicine mucosal secretion, including complete abolishment of efflux (GF120918/MK571). Colchicine displayed low (versus metoprolol) and constant permeability along the rat small-intestine. GF120918 significantly increased colchicine permeability in the ileum with no effect in the jejunum, whereas MK571 augmented jejunal permeability without changing the ileal transport. The GF120918/MK571 combination caused an effect similar to that of MK571 alone in the jejunum and to that of GF120918 alone in the ileum. P-gp expression followed a gradient increasing from

Optimization of Intracellular Transportation of Gene Therapeutic DNA in Small Cell Lung Cancer (Ph.d.)

DEFF Research Database (Denmark)

Cramer, Frederik

2013-01-01

Small cell lung cancer (SCLC) is a highly malignant disease characterized as being very aggressive and metastasizing at a rapid pace. The malevolent pace of SCLC cell migration results in almost three out of four SCLC patients having disseminated SCLC at the time of diagnosis. Unfortunately...... has to be able to repeated systemic delivery of gene therapy to cancer cells in a both safe and efficient way. Non-viral delivery vectors fulfill many of these requirements except the latter. It is currently very difficult to systemically transport sufficient amounts of therapeutic DNA, by a non......-viral delivery system, to the nuclei of the SCLC cells. As a result, the gene therapy expression obtained is too low to have any clinical relevance. We have at the Department of Radiation Biology developed a transcriptionally targeting suicide gene therapy system which is built on a double stranded DNA plasmid...

Borreliacidal activity of Borrelia metal transporter A (BmtA binding small molecules by manganese transport inhibition

Directory of Open Access Journals (Sweden)

Wagh D

2015-02-01

Full Text Available Dhananjay Wagh,* Venkata Raveendra Pothineni,* Mohammed Inayathullah, Song Liu, Kwang-Min Kim, Jayakumar Rajadas Biomaterials and Advanced Drug Delivery Laboratory, Stanford Cardiovascular Pharmacology Division, Cardiovascular Institute, Stanford University School of Medicine, Palo Alto, CA, USA *These authors contributed equally to this work  Abstract: Borrelia burgdorferi, the causative agent of Lyme disease, utilizes manganese (Mn for its various metabolic needs. We hypothesized that blocking Mn transporter could be a possible approach to inhibit metabolic activity of this pathogen and eliminate the infection. We used a combination of in silico protein structure prediction together with molecular docking to target the Borrelia metal transporter A (BmtA, a single known Mn transporter in Borrelia and screened libraries of FDA approved compounds that could potentially bind to the predicted BmtA structure with high affinity. Tricyclic antihistamines such as loratadine, desloratadine, and 3-hydroxydesloratadine as well as yohimbine and tadalafil demonstrated a tight binding to the in silico folded BmtA transporter. We, then, tested borreliacidal activity and dose response of the shortlisted compounds from this screen using a series of in vitro assays. Amongst the probed compounds, desloratadine exhibited potent borreliacidal activity in vitro at and above 78 µg/mL (250 µM. Borrelia treated with lethal doses of desloratadine exhibited a significant loss of intracellular Mn specifically and a severe structural damage to the bacterial cell wall. Our results support the possibility of developing a novel, targeted therapy to treat Lyme disease by targeting specific metabolic needs of Borrelia.  Keywords: Lyme disease, BmtA, Borrelia burgdorferi, desloratadine, Bac Titer-Glo assay

The Impact of Molecular p-Doping on Charge Transport in High-Mobility Small-Molecule/Polymer Blend Organic Transistors

KAUST Repository

Paterson, Alexandra F.

2017-12-27

Molecular doping is a powerful tool with the potential to resolve many of the issues currently preventing organic thin-film transistor (OTFT) commercialization. However, the addition of dopant molecules into organic semiconductors often disrupts the host lattice, introducing defects and harming electrical transport. New dopant-based systems that overcome practical utilization issues, while still reaping the electrical performance benefits, would therefore be extremely valuable. Here, the impact of p-doping on the charge transport in blends consisting of the small-molecule 2,7-dioctyl[1]benzothieno[3,2-b][1]benzothiophene (C8-BTBT), the polymer indacenodithiophene-benzothiadiazole (C16IDT-BT), and the molecular dopant C60F48 is investigated. Electrical field-effect measurements indicate that p-doping not only enhances the average saturation mobility from 1.4 to 7.8 cm2 V−1 s−1 over 50 devices (maximum values from around 4 to 13 cm2 V−1 s−1), but also improves bias–stress stability, contact resistance, threshold voltage, and the overall device-to-device performance variation. Importantly, materials characterization using X-ray diffraction, X-ray photoemission spectroscopy, and ultraviolet photoemission spectroscopy, combined with charge transport modeling, reveal that effective doping is achieved without perturbing the microstructure of the polycrystalline semiconductor film. This work highlights the remarkable potential of ternary organic blends as a simple platform for OTFTs to achieve all the benefits of doping, with none of the drawbacks.

The Impact of Molecular p-Doping on Charge Transport in High-Mobility Small-Molecule/Polymer Blend Organic Transistors

KAUST Repository

Paterson, Alexandra F.; Lin, Yen-Hung; Mottram, Alexander D.; Fei, Zhuping; Niazi, Muhammad Rizwan; Kirmani, Ahmad R.; Amassian, Aram; Solomeshch, Olga; Tessler, Nir; Heeney, Martin; Anthopoulos, Thomas D.

2017-01-01

Molecular doping is a powerful tool with the potential to resolve many of the issues currently preventing organic thin-film transistor (OTFT) commercialization. However, the addition of dopant molecules into organic semiconductors often disrupts the host lattice, introducing defects and harming electrical transport. New dopant-based systems that overcome practical utilization issues, while still reaping the electrical performance benefits, would therefore be extremely valuable. Here, the impact of p-doping on the charge transport in blends consisting of the small-molecule 2,7-dioctyl[1]benzothieno[3,2-b][1]benzothiophene (C8-BTBT), the polymer indacenodithiophene-benzothiadiazole (C16IDT-BT), and the molecular dopant C60F48 is investigated. Electrical field-effect measurements indicate that p-doping not only enhances the average saturation mobility from 1.4 to 7.8 cm2 V−1 s−1 over 50 devices (maximum values from around 4 to 13 cm2 V−1 s−1), but also improves bias–stress stability, contact resistance, threshold voltage, and the overall device-to-device performance variation. Importantly, materials characterization using X-ray diffraction, X-ray photoemission spectroscopy, and ultraviolet photoemission spectroscopy, combined with charge transport modeling, reveal that effective doping is achieved without perturbing the microstructure of the polycrystalline semiconductor film. This work highlights the remarkable potential of ternary organic blends as a simple platform for OTFTs to achieve all the benefits of doping, with none of the drawbacks.

Effect of annealing temperature on structural, morphology and dielectric properties of La0.75Ba0.25FeO3 perovskite

Science.gov (United States)

Abdallah, F. B.; Benali, A.; Triki, M.; Dhahri, E.; Graça, M. P. F.; Valente, M. A.

2018-05-01

The effect of annealing temperature on the structure, morphology and dielectric properties of La0.75Ba0.25FeO3 compound prepared by the sol-gel method was investigated. The increase of the annealing temperature from 900 to 1100 °C, promotes an increase of the average grain size value. Two dielectric relaxations are detected using the dielectric modulus formalism, attributed to grain and grain boundary relaxations. This behavior was confirmed by both Nyquist and Argand's plots of dielectric impedance and Modulus results at different measuring temperatures. The ac conductivity could be described by Jonscher's power law revealing the presence of both overlapping large polaron tunneling and non-overlapping small polaron tunneling mechanisms.

Pathogen transport in groundwater systems: contrasts with traditional solute transport

Science.gov (United States)

Hunt, Randall J.; Johnson, William P.

2017-06-01

Water quality affects many aspects of water availability, from precluding use to societal perceptions of fit-for-purpose. Pathogen source and transport processes are drivers of water quality because they have been responsible for numerous outbreaks resulting in large economic losses due to illness and, in some cases, loss of life. Outbreaks result from very small exposure (e.g., less than 20 viruses) from very strong sources (e.g., trillions of viruses shed by a single infected individual). Thus, unlike solute contaminants, an acute exposure to a very small amount of contaminated water can cause immediate adverse health effects. Similarly, pathogens are larger than solutes. Thus, interactions with surfaces and settling become important even as processes important for solutes such as diffusion become less important. These differences are articulated in "Colloid Filtration Theory", a separate branch of pore-scale transport. Consequently, understanding pathogen processes requires changes in how groundwater systems are typically characterized, where the focus is on the leading edges of plumes and preferential flow paths, even if such features move only a very small fraction of the aquifer flow. Moreover, the relatively short survival times of pathogens in the subsurface require greater attention to very fast (solute transport mechanisms discussed here, a more encompassing view of water quality and source water protection is attained. With this more holistic view and theoretical understanding, better evaluations can be made regarding drinking water vulnerability and the relation between groundwater and human health.

Photoluminescence and charge-transport characteristics of nano-columnar titanium dioxide films prepared by rf-sputtering on alumina templates

Science.gov (United States)

Kheirandish, E.; Hosseini, T.; Yavarishad, N.; King, S.; Kouklin, N.

2018-02-01

The current study presents the synthesis and characterization of poly-crystalline TiO2 thin-film prepared by rf-sputtering on top of a highly regimented nanoporous Au-coated Al2O3 substrate. The film’s physical and electronic properties were characterized via SEM, EDS, x-ray diffraction and RAMAN spectroscopy as well as temperature dependent photoluminescence (PL) and I-V measurements. The films feature a 1D, columnar-like structure and exhibit a medium strength, spectrally-broad light emission in the UV-visible range. PL emission shows a weak T-dependence and is attributed to interband electronic transitions and defect-assisted radiative recombinations. The charge transport is confirmed to be polaronic in nature with both thermally-assisted hopping and quantum mechanical tunneling regulating a charge flow within the columns in the intermediate temperature regime of ˜200-320 K. These results open a door to utilizing nano-textured substrates/scaffolds to produce electronic-grade anatase TiO2 by sputtering for advanced opto-electronic device applications.

Analysis of Proton Transport Experiments.

Science.gov (United States)

1980-09-05

which can inhibit transport, may grow . The abrupt loss of transport at higher currents in the small channel suggests this possibility. Future experiments... Unicorn Park Drive Woburn, MA 01801 Attn: H. Linnerud 1 copy Lawrence Livermore Laboratory P. 0. Box 808 Livermore, CA 94550 Attn: R. J. Briggs 1 copy R

Sediment Transport

DEFF Research Database (Denmark)

Liu, Zhou

Flow and sediment transport are important in relation to several engineering topics, e.g. erosion around structures, backfilling of dredged channels and nearshore morphological change. The purpose of the present book is to describe both the basic hydrodynamics and the basic sediment transport...... mechanics. Chapter 1 deals with fundamentals in fluid mechanics with emphasis on bed shear stress by currents, while chapter 3 discusses wave boundary layer theory. They are both written with a view to sediment transport. Sediment transport in rivers, cross-shore and longshore are dealt with in chapters 2......, 4 and 5, respectively. It is not the intention of the book to give a broad review of the literature on this very wide topic. The book tries to pick up information which is of engineering importance. An obstacle to the study of sedimentation is the scale effect in model tests. Whenever small...

Preliminary Validation of the Small Aircraft Transportation System Higher Volume Operations (SATS HVO) Concept

Science.gov (United States)

Williams, Daniel; Consiglio, Maria; Murdoch, Jennifer; Adams, Catherine

2004-01-01

This document provides a preliminary validation of the Small Aircraft Transportation System (SATS) Higher Volume Operations (HVO) concept for normal conditions. Initial results reveal that the concept provides reduced air traffic delays when compared to current operations without increasing pilot workload. Characteristic to the SATS HVO concept is the establishment of a newly defined area of flight operations called a Self-Controlled Area (SCA) which would be activated by air traffic control (ATC) around designated non-towered, non-radar airports. During periods of poor visibility, SATS pilots would take responsibility for separation assurance between their aircraft and other similarly equipped aircraft in the SCA. Using onboard equipment and simple instrument flight procedures, they would then be better able to approach and land at the airport or depart from it. This concept would also require a new, ground-based automation system, typically located at the airport that would provide appropriate sequencing information to the arriving aircraft. Further validation of the SATS HVO concept is required and is the subject of ongoing research and subsequent publications.

30 CFR 77.1604 - Transportation of persons; overcrowding.

Science.gov (United States)

2010-07-01

... UNDERGROUND COAL MINES Loading and Haulage § 77.1604 Transportation of persons; overcrowding. (a) No man-trip... other than small handtools shall not be transported with men in man-trip vehicles unless such vehicles are specifically designed to make such transportation safe. ...

Pressure effect on magnetic and transport properties of FeCr{sub 2}S{sub 4}

Energy Technology Data Exchange (ETDEWEB)

Xie, Y.M. [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002 (China); Tong, R. [Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031 (China); Yang, Z.R., E-mail: zryang@issp.ac.cn [Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031 (China)

2016-10-15

In this paper, the influence of chemical pressure caused by Se substituting and hydrostatic pressure on magnetic and transport properties of FeCr{sub 2}S{sub 4} have been investigated. In addition to a large irreversibility between zero-field-cooled (ZFC) and field-cooled (FC) magnetization under low magnetic field, FeCr{sub 2}S{sub 4} polycrystalline sample also shows a cusp-like anomaly around 70 K and a step-like transition around 9 K. With increasing Se content, ferrimagnetic transition temperature decreases, irreversibility between ZFC and FC magnetization increases. At the same time, both the step-like transition and the cusp-like anomaly in magnetization shift to a lower temperature and disappears gradually. All the above effects caused by Se substituting are in accord with the effects caused by applying hydrostatic pressure. Furthermore, we found magnetoresistance increases with increasing Se content, and attributed it to the stabilization of magnetic polarons. - Highlights: • Se doping makes the anomalies in magnetization shift toward lower temperatures. • Chemical pressure effects are in accord with hydrostatic pressure effects. • Magnetoresistance increases with increasing Se content.

Ab initio theory of charge-carrier conduction in ultrapure organic crystals

NARCIS (Netherlands)

Hannewald, K.; Bobbert, P.A.

2004-01-01

We present an ab initio description of charge-carrier mobilities in organic molecular crystals of high purity. Our approach is based on Holstein's original concept of small-polaron bands but generalized with respect to the inclusion of nonlocal electron-phonon coupling. By means of an explicit

Electrical Conduction Mechanism and Dielectric Properties of Spherical Shaped Fe₃O₄ Nanoparticles Synthesized by Co-Precipitation Method.

Science.gov (United States)

Radoń, Adrian; Łukowiec, Dariusz; Kremzer, Marek; Mikuła, Jarosław; Włodarczyk, Patryk

2018-05-05

On the basis of dielectric measurements performed in a wide temperature range (173⁻373 K), a comprehensive analysis of the dielectric and electrical properties of magnetite nanoparticles electrical conduction mechanism of compressed spherical shaped Fe₃O₄ nanoparticles was proposed. The electrical conductivity of Fe₃O₄ nanoparticles was related to two different mechanisms (correlated barrier hopping and non-overlapping small polaron tunneling mechanisms); the transition between them was smooth. Additionally, role of grains and grain boundaries with charge carrier mobility and with observed hopping mechanism was described in detail. It has been confirmed that conductivity dispersion (as a function of frequencies) is closely related to both the long-range mobility (conduction mechanism associated with grain boundaries) and to the short-range mobility (conduction mechanism associated with grains). Calculated electron mobility increases with temperature, which is related to the decreasing value of hopping energy for the tunneling of small polarons. The opposite scenario was observed for the value of electron hopping energy.

Mechanisms of calcium transport in small intestine. Final report

International Nuclear Information System (INIS)

DeLuca, H.F.

1982-01-01

The vitamin D hormone, 1,25-dihydroxyvitamin D 3 , was demonstrated to be the prime hormonal agent regulating intestinal absorption of divalent cations. Production of the vitamin D hormone is, in turn, regulated by parathyroid hormone, low dietary calcium, low plasma phosphorus, and is suppressed by 1,25-dihydroxyvitamin D 3 , by high plasma phosphorus, high plasma calcium, and the absence of parathyroid hormone. A variety of analogs of the vitamin D hormone were prepared. In addition, the preparation of radiolabeled vitamin D hormone was accomplished using chemical synthesis, and this highly radioactive substance was found to localize in the nuclei of the intestinal villus cells that promote intestinal absorption of calcium. A receptor for the vitamin D hormone was also located, and the general mechanism of response to the vitamin D hormone included the binding to a receptor molecule, transfer to the nucleus, transcription of specific genes followed by translation to transport proteins. Methods were developed for the discovery of the appropriate gene products that play a role in calcium transport

Transcriptional Responses of Escherichia coli to a Small-Molecule Inhibitor of LolCDE, an Essential Component of the Lipoprotein Transport Pathway

Science.gov (United States)

Lorenz, Christian; Dougherty, Thomas J.

2016-01-01

ABSTRACT In Gram-negative bacteria, a dedicated machinery consisting of LolABCDE components targets lipoproteins to the outer membrane. We used a previously identified small-molecule inhibitor of the LolCDE complex of Escherichia coli to assess the global transcriptional consequences of interference with lipoprotein transport. Exposure of E. coli to the LolCDE inhibitor at concentrations leading to minimal and significant growth inhibition, followed by transcriptome sequencing, identified a small group of genes whose transcript levels were decreased and a larger group whose mRNA levels increased 10- to 100-fold compared to those of untreated cells. The majority of the genes whose mRNA concentrations were reduced were part of the flagellar assembly pathway, which contains an essential lipoprotein component. Most of the genes whose transcript levels were elevated encode proteins involved in selected cell stress pathways. Many of these genes are involved with envelope stress responses induced by the mislocalization of outer membrane lipoproteins. Although several of the genes whose RNAs were induced have previously been shown to be associated with the general perturbation of the cell envelope by antibiotics, a small subset was affected only by LolCDE inhibition. Findings from this work suggest that the efficiency of the Lol system function may be coupled to a specific monitoring system, which could be exploited in the development of reporter constructs suitable for use for screening for additional inhibitors of lipoprotein trafficking. IMPORTANCE Inhibition of the lipoprotein transport pathway leads to E. coli death and subsequent lysis. Early significant changes in the levels of RNA for a subset of genes identified to be associated with some periplasmic and envelope stress responses were observed. Together these findings suggest that disruption of this key pathway can have a severe impact on balanced outer membrane synthesis sufficient to affect viability. PMID

Transcriptional Responses of Escherichia coli to a Small-Molecule Inhibitor of LolCDE, an Essential Component of the Lipoprotein Transport Pathway.

Science.gov (United States)

Lorenz, Christian; Dougherty, Thomas J; Lory, Stephen

2016-12-01

In Gram-negative bacteria, a dedicated machinery consisting of LolABCDE components targets lipoproteins to the outer membrane. We used a previously identified small-molecule inhibitor of the LolCDE complex of Escherichia coli to assess the global transcriptional consequences of interference with lipoprotein transport. Exposure of E. coli to the LolCDE inhibitor at concentrations leading to minimal and significant growth inhibition, followed by transcriptome sequencing, identified a small group of genes whose transcript levels were decreased and a larger group whose mRNA levels increased 10- to 100-fold compared to those of untreated cells. The majority of the genes whose mRNA concentrations were reduced were part of the flagellar assembly pathway, which contains an essential lipoprotein component. Most of the genes whose transcript levels were elevated encode proteins involved in selected cell stress pathways. Many of these genes are involved with envelope stress responses induced by the mislocalization of outer membrane lipoproteins. Although several of the genes whose RNAs were induced have previously been shown to be associated with the general perturbation of the cell envelope by antibiotics, a small subset was affected only by LolCDE inhibition. Findings from this work suggest that the efficiency of the Lol system function may be coupled to a specific monitoring system, which could be exploited in the development of reporter constructs suitable for use for screening for additional inhibitors of lipoprotein trafficking. Inhibition of the lipoprotein transport pathway leads to E. coli death and subsequent lysis. Early significant changes in the levels of RNA for a subset of genes identified to be associated with some periplasmic and envelope stress responses were observed. Together these findings suggest that disruption of this key pathway can have a severe impact on balanced outer membrane synthesis sufficient to affect viability. Copyright © 2016 Lorenz et al.

Advanced technology for future regional transport aircraft

Science.gov (United States)

Williams, L. J.

1982-01-01

In connection with a request for a report coming from a U.S. Senate committee, NASA formed a Small Transport Aircraft Technology (STAT) team in 1978. STAT was to obtain information concerning the technical improvements in commuter aircraft that would likely increase their public acceptance. Another area of study was related to questions regarding the help which could be provided by NASA's aeronautical research and development program to commuter aircraft manufacturers with respect to the solution of technical problems. Attention is given to commuter airline growth, current commuter/region aircraft and new aircraft in development, prospects for advanced technology commuter/regional transports, and potential benefits of advanced technology. A list is provided of a number of particular advances appropriate to small transport aircraft, taking into account small gas turbine engine component technology, propeller technology, three-dimensional wing-design technology, airframe aerodynamics/propulsion integration, and composite structure materials.

Morphology effects on spin-dependent transport and recombination in polyfluorene thin films

Science.gov (United States)

Miller, Richards; van Schooten, K. J.; Malissa, H.; Joshi, G.; Jamali, S.; Lupton, J. M.; Boehme, C.

2016-12-01

intermediate charge-carrier pair states is dominant, while at low temperatures, additional signatures of spin-dependent charge transport through the interaction of polarons with triplet excitons are seen in the half-field resonance of a triplet spin-1 species. This additional contribution arises since triplet lifetimes are increased at lower temperatures. We tentatively conclude that spectral broadening induced by hyperfine coupling is slightly weaker in the more ordered β-phase than in the glassy phase since protons are more evenly spaced, whereas broadening effects due to spin-orbit coupling, which impacts the distribution of g -factors, appear to be somewhat more significant in the β-phase.

Nonlocal transport in hot plasma. Part I

International Nuclear Information System (INIS)

Brantov, A. V.; Bychenkov, V. Yu.

2013-01-01

The problem of describing charged particle transport in hot plasma under the conditions in which the ratio of the electron mean free path to the gradient length is not too small is one of the key problems of plasma physics. However, up to now, there was a deficit of the systematic interpretation of the current state of this problem, which, in most studies, is formulated as the problem of nonlocal transport. In this review, we fill this gap by presenting a self-consistent linear theory of nonlocal transport for small plasma perturbations and an arbitrary collisionality from the classical highly collisional hydrodynamic regime to the collisionless regime. We describe a number of nonlinear transport models and demonstrate the application of the nonclassical transport theory to the solution of some problems of plasma physics, first of all for plasmas produced by nanosecond laser pulses with intensities of 10 13 –10 16 W/cm 2

Gas Transport and Exchange through Wetland Plant Aerenchyma

DEFF Research Database (Denmark)

Sorrell, Brian Keith; Brix, Hans

2013-01-01

Aerenchyma, the large airspaces in aquatic plants, is a rapid gas transport pathway between atmosphere and soil in wetlands. Oxygen transport aerates belowground tissue and oxidizes rhizosphere soil, an important process in wetland biogeochemistry. Most plant O2 transport occurs by diffusion......, and the major challenge for its accurate measurement is avoiding disturbing small-scale gradients in O2 concentration and demand in the pathway. Small O2 sensors with rapid response times and high spatial resolution are the most popular methods for quantifying O2 transport and rhizosphere oxidation...... such as stirring of solutions. In some species, pressurized gas flows develop in shoots and rhizomes, and their contribution to gas fluxes can be assessed with pressure transducers and flow meters. Other gases produced in wetlands (e.g., CO2, CH4, and N2O) are also transported in aerenchyma. Their fluxes...

Analysis of pedestal plasma transport

International Nuclear Information System (INIS)

Callen, J.D.; Groebner, R.J.; Osborne, T.H.; Canik, J.M.; Owen, L.W.; Pankin, A.Y.; Rafiq, T.; Rognlien, T.D.; Stacey, W.M.

2010-01-01

An H-mode edge pedestal plasma transport benchmarking exercise was undertaken for a single DIII-D pedestal. Transport modelling codes used include 1.5D interpretive (ONETWO, GTEDGE), 1.5D predictive (ASTRA) and 2D ones (SOLPS, UEDGE). The particular DIII-D discharge considered is 98889, which has a typical low density pedestal. Profiles for the edge plasma are obtained from Thomson and charge-exchange recombination data averaged over the last 20% of the average 33.53 ms repetition time between type I edge localized modes. The modelled density of recycled neutrals is largest in the divertor X-point region and causes the edge plasma source rate to vary by a factor ∼10 2 on the separatrix. Modelled poloidal variations in the densities and temperatures on flux surfaces are small on all flux surfaces up to within about 2.6 mm (ρ N > 0.99) of the mid-plane separatrix. For the assumed Fick's-diffusion-type laws, the radial heat and density fluxes vary poloidally by factors of 2-3 in the pedestal region; they are largest on the outboard mid-plane where flux surfaces are compressed and local radial gradients are largest. Convective heat flows are found to be small fractions of the electron (∼ 2 s -1 . Electron heat transport is found to be best characterized by electron-temperature-gradient-induced transport at the pedestal top and paleoclassical transport throughout the pedestal. The effective ion heat diffusivity in the pedestal has a different profile from the neoclassical prediction and may be smaller than it. The very small effective density diffusivity may be the result of an inward pinch flow nearly balancing a diffusive outward radial density flux. The inward ion pinch velocity and density diffusion coefficient are determined by a new interpretive analysis technique that uses information from the force balance (momentum conservation) equations; the paleoclassical transport model provides a plausible explanation of these new results. Finally, the measurements

Comparative Study of Magnetic Ordering and Electrical Transport in Bulk and Nano-Grained Nd{sub 0.67}Sr{sub 0.33}MnO{sub 3} Manganites

Energy Technology Data Exchange (ETDEWEB)

Arun, B. [Materials Science and Technology Division, CSIR-National Institute for Interdisciplinary Science and Technology, Trivandrum (India); Academy of Scientific and Innovative Research (AcSIR), CSIR, Trivandrum (India); Suneesh, M.V. [Materials Science and Technology Division, CSIR-National Institute for Interdisciplinary Science and Technology, Trivandrum (India); Vasundhara, M., E-mail: vasu.mutta@gmail.com [Materials Science and Technology Division, CSIR-National Institute for Interdisciplinary Science and Technology, Trivandrum (India)

2016-11-15

We have prepared bulk and nano-sized Nd{sub 0.67}Sr{sub 0.33}MnO{sub 3} manganites by solid state and low-temperature mild solgel methods respectively. Both the compounds crystallized into an orthorhombic structure with Pbnm space group confirmed from Rietveld refinement of X-ray powder diffraction patterns. Nano-grained compound shows an average particle size of 22 nm with broad grain size distribution revealed from the Transmission electron micrographs. It appeared that the long range ferromagnetic order becomes unstable upon the reduction of the samples dimension down to nano meter scale. DC magnetization and AC susceptibility results showed frustration of spins in nano-grained compound and thereby it could lead to a cluster glass-like behaviour. Temperature dependence of electrical resistivity under different magnetic fields shows the broad maxima at higher temperatures and a low temperature upturn in both the compounds, however, the latter is more prominent in the nano grained compound. Combination of Kondo effect with electron and phonon interactions govern the low temperature resistivity and a small polaron hopping mechanism dominates at high temperatures for both the compounds. The magnetoresistance is understood by the effect of spin polarized tunneling through the grain boundary. The experimental results revealed that the reduction in particle size influences severely on the magnetic, electrical and magneto transport properties. - Highlights: • Long range ferromagnetic ordered state become unstable in case of nano compound. • It shows broad magnetic transition and cluster glass nature. • Kondo effect with electron-phonon interactions dominate the resistivity at low temperature.

Structural and electrical properties of Nd.sub.1.7./sub.Ba.sub.0.3./sub.Ni.sub.0.9./sub.Cr.sub.0.1./sub.O.sub.4+δ./sub. compound

Czech Academy of Sciences Publication Activity Database

Jammali, M.; Hassen, R.B.; Rohlíček, Jan

2012-01-01

Roč. 27, č. 3 (2012), s. 184-188 ISSN 0885-7156 Institutional research plan: CEZ:AV0Z10100521 Keywords : X-ray diffraction * sol-gel * Rietveld refinement * adiabatic small polaron hopping model * semi-conductive behaviour Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.544, year: 2012

Small scale laboratory studies of flow and transport phenomena in pores and fractures: Phase II. Progress report, 3rd year continuation proposal, and work plan

Energy Technology Data Exchange (ETDEWEB)

Wilson, J.L.

1994-05-01

Small scale laboratory experiments, equipped with an ability to actually observe behavior on the pore level using microscopy, provide an economical and easily understood scientific tool to help us validate concepts and assumptions about the transport of contaminants, and offers the propensity to discover heretofore unrecognized phenomena or behavior. The main technique employs etched glass micromodels, composed of two etched glass plates, sintered together, to form a two dimensional network of three dimensional pores. Flow and transport behavior is observed on a pore or pore network level, and recorder on film and video tape. This technique is coupled with related column studies. These techniques have been used to study multiphase flow, colloid transport and most recently bacteria transport. The project has recently moved to the Bacteria Transport Subprogram, and efforts have been redirected to support that Subprogram and its collaborative field experiment. We proposed to study bacteria transport factors of relevance to the field experiment, using micromodels and other laboratory techniques. Factors that may be addressed include bacteria characteristics (eg, hydrophobicity), pore size and shape, permeability heterogeneity, surface chemistry (eg, iron oxide coatings), surface chemistry heterogeneity, active versus resting cell bacteria, and mixed bacteria populations. In other work we will continue to examine the effects of fluid-fluid interfaces on bacteria transport, and develop a new assay for bacteria hydrophobicity. Finally we will collaborate on characterization of the field site, and the design, operation, and interpretation of the field experiment.

Influence of convection on the diffusive transport and sieving of water and small solutes across the peritoneal membrane.

Science.gov (United States)

Asghar, Ramzana B; Diskin, Ann M; Spanel, Patrik; Smith, David; Davies, Simon J

2005-02-01

The three-pore model of peritoneal membrane physiology predicts sieving of small solutes as a result of the presence of a water-exclusive pathway. The purpose of this study was to measure the diffusive and convective components of small solute transport, including water, under differing convection. Triplicate studies were performed in eight stable individuals using 2-L exchanges of bicarbonate buffered 1.36 or 3.86% glucose and icodextrin. Diffusion of water was estimated by establishing an artificial gradient of deuterated water (HDO) between blood/body water and the dialysate. (125)RISA (radio-iodinated serum albumin) was used as an intraperitoneal volume marker to determine the net ultrafiltration and reabsorption of fluid. The mass transfer area coefficient (MTAC) for HDO and solutes was estimated using the Garred and Waniewski equations. The MTAC of HDO calculated for 1.36% glucose and icodextrin were similar (36.8 versus 39.7 ml/min; P = 0.3), whereas for other solutes, values obtained using icodextrin were consistently higher (P solutes is a reflection of their sieving. The increase in the MTAC of water and urea associated with an increase in convection is most likely due to increased mixing within the interstitium.

Turbulent transport in the MST reversed-field pinch

International Nuclear Information System (INIS)

Rempel, T.D.; Almagri, A.F.; Assadi, S.; Den Hartog, D.J.; Hokin, S.A.; Prager, S.C.; Sarff, J.S.; Shen, W.; Sidikman, K.L.; Spragins, C.W.; Sprott, J.C.; Stoneking, M.R.; Zita, E.J.

1991-11-01

Measurements of edge turbulence and the associated transport are ongoing in the Madison Symmetric Torus (R = 1.5 m, a = 0.52 m) reversed-field pinch using magnetic and electrostatic probes. Magnetic fluctuations are dominated by m = 1 and n ∼ 2R/a tearing modes. Particle losses induced by magnetic field fluctuations have been found to be ambipolar ( parallel B r > = O). Electrostatic fluctuations are broadband and turbulent, with mode widths δm ∼ 3--7 and δn ∼70--150. Particle, parallel current, and energy transport arising from coherent motion with the fluctuating ExB drift has been measured. Particle transport via this channel is comparable to the total particle loss from MST. Energy transport (from phi >/B o ) due to electrostatic fluctuations is relatively small, and parallel current transport (from parallel E chi >/B o ) may be small as well

Broadening of Distribution of Trap States in PbS Quantum Dot Field-Effect Transistors with High-k Dielectrics.

Science.gov (United States)

Nugraha, Mohamad I; Häusermann, Roger; Watanabe, Shun; Matsui, Hiroyuki; Sytnyk, Mykhailo; Heiss, Wolfgang; Takeya, Jun; Loi, Maria A

2017-02-08

We perform a quantitative analysis of the trap density of states (trap DOS) in PbS quantum dot field-effect transistors (QD-FETs), which utilize several polymer gate insulators with a wide range of dielectric constants. With increasing gate dielectric constant, we observe increasing trap DOS close to the lowest unoccupied molecular orbital (LUMO) of the QDs. In addition, this increase is also consistently followed by broadening of the trap DOS. We rationalize that the increase and broadening of the spectral trap distribution originate from dipolar disorder as well as polaronic interactions, which are appearing at strong dielectric polarization. Interestingly, the increased polaron-induced traps do not show any negative effect on the charge carrier mobility in our QD devices at the highest applied gate voltage, giving the possibility to fabricate efficient low-voltage QD devices without suppressing carrier transport.

Bipolar polaron pair recombination in P3HT/PCBM solar cells

DEFF Research Database (Denmark)

Kupijai, Alexander J.; Behringer, Konstantin M.; Corazza, Michael

2015-01-01

. However, in organic devices the nature of the dominant spin-dependent processes is still subject to considerable debate. Using multi-frequency pulsed electrically detected magnetic resonance (pEDMR), we show that the spin-dependent response of P3HT/PCBM solar cells at low temperatures is governed...... of the electron spin on charge transport which can be exploited in spintronic devices or to improve solar cell eciencies. Magnetic resonance techniques are particularly helpful to elucidate the microscopic structure of paramagnetic states in semiconductors as well as the transport processes they are involved in...

Electrical conduction in composites containing copper core–copper ...

Indian Academy of Sciences (India)

Unknown

of Mott's small polaron hopping conduction model. ... sample exhibited a metallic conduction confirming the formation of a percolative chain of ..... value of εp. Also the oxide layer formation on the initially unoxidized copper particles will increase the resistivity level of the nanocomposite. This is borne out by results shown in ...

Bulletin of Materials Science | Indian Academy of Sciences

Indian Academy of Sciences (India)

... 100 Hz–1 MHz. Detailed study of dielectric constant and electrical conductivity reveals a phase change around 400 K, which is quite different from those in the other materials of the same type. Further, the seebeck coefficient () is temperature independent. The conduction is interpreted as due to small polaron hopping.

Nonparametric cost evaluation of the Department of Defense's small parcel shipping procedures

OpenAIRE

Murphy, Douglas M.

1995-01-01

The current Department of Defense shipping procedures do not encourage Installation Transportation Officers (ITOs) to use small parcel carriers (SPCs) for domestic ground transportation. There is still a significant amount of small parcels being shipped by the more expensive common carriers used for large Truckload and Less-Than-Truckload freight. The first purpose of this thesis is to show small parcels can be shipped more efficiently by SPCs than common carriers. The second purpose is to pr...

Neoclassical transport optimization of LHD

International Nuclear Information System (INIS)

Murakami, S.; Yamada, H.; Watanabe, K.Y.; Wakasa, A.; Maassberg, H.; Beidler, C.D.

2002-06-01

Neoclassical transport is studied for LHD configurations in which the magnetic axis has been shifted radially by determining the mono-energetic transport coefficient and the effective helical ripple. With respect to the transport in the long mean free path collisionality region - the so called 1/ν transport -, the optimum configuration is found when the magnetic axis has a major radius of 3.53m, which is 0.22m inward shifted from the standard'' configuration of LHD. In the optimized case, the effective helical ripple is very small, remaining below 2% inside 4/5 of the plasma radius. This indicates that a strong inward shift of the magnetic axis in the LHD can diminish the neoclassical transport to a level typical of so-called advanced stellarators''. (author)

Potential Markets for Small Reactors. Annex XI

Energy Technology Data Exchange (ETDEWEB)

NONE

2013-12-15

The electricity cost of a small power generation plant is generally higher than that of a large scale power plant due to economies of scale. In order to survey the market for small nuclear power plants, the competitive object is not a large scale power plant but a small fossil fuel power generation plant. Large scale power generation plants are not required in all countries and regions of the world. There are many regions where the electricity cost is high because of the cost of fuel transport to remote places. Medium or small power generation plants could turn out to also be preferable from the viewpoints of electrical power demand and distribution cost. For example, the electricity costs in many small cities or towns of the Alaskan and Hawaiian Islands are higher than on the mainland. The electricity costs in the two peninsulas (Baja California and Yucatan) in Mexico are high because, owing to the limited power demand in these regions, small and medium sized fossil fuel power generation plants have been installed there, and the costs of fuel, fuel transport and power transmission appear to be relatively high. Owing to such situations, a market for small and medium sized nuclear reactors exists, and there are certain regions and areas in the world where such reactors can compete with the alternatives.

Environmental assessment of freight transportation

Energy Technology Data Exchange (ETDEWEB)

Flodstroem, E. [MariTerm AB, Goeteborg (Sweden)

1998-04-01

This report is a short version in English of two reports in Swedish: KFB report 1994:6 `Environmental effects of change of transport mode for goods transportation` and `Combining of transport models` which was performed as a commission for the Swedish environmental protection agency. The aim of both studies is to investigate the environmental effects of political measures to transfer goods from one transport mode to another. To be able to calculate the environmental effects a method to follow the transport chains has been developed. By defining the transport chains with a main transport mode it has been possible to relate the emissions to the different modes. The main results are that the transferable volumes are limited and even if a maximum volume is transferred, the positive environmental effects are small compared to the effects of measures to reduce the emissions from the vehicles 3 refs, 22 figs, 34 tabs

Interchain coupling and 3D modeling of trans-polyacetylene

International Nuclear Information System (INIS)

Bronold, F.; Saxena, A.; Bishop, A.R.

1992-01-01

In spite of the success of the SSH model for trans-polyacetylene in interpreting many experimental results (e.g. optical and magnetic properties) there remain some aspects of the real material which are outside the scope of the simple 1D model. Especially ordering phenomena of doped and undoped trans-polyacetylene as well as transport properties (e.g. electronic and thermal conductivity) are beyond a 1D description. There are many attempts to construct a transport theory for this novel class of materials using solitons or polaxons as the basic ingredients. But so far it is not yet clear whether these typical 1D excitations still exist in crystalline transpolyacetylene. Therefore, to clarify the role which intrinsic self-localized nonlinear excitations characteristic of 1D models play in the bulk (3D) material, we study the stability of a polaronic excitation against interchain coupling. As a preliminary step we consider first two coupled t-(CH) x -chains where the π-electrons are allowed to hop from one chain to the other. Then we introduce a 3D generalization of the SSH model and study a polaron in a 3D crystalline environment

Fostering transport and logistics research in the Benelux countries

NARCIS (Netherlands)

Witlox, Frank; Dullaert, Wout; Jourquin, Bart

Promoting high quality research and education in the field of transport, within its region, is the main goal of the Benelux Interuniversity Association of Transport Economists - BIVEC-GIBET for short. Founded in 1978, the Association has evolved from a small group of transport economists into a

SLUDGE TREATMENT PROJECT COST COMPARISON BETWEEN HYDRAULIC LOADING AND SMALL CANISTER LOADING CONCEPTS

Energy Technology Data Exchange (ETDEWEB)

GEUTHER J; CONRAD EA; RHOADARMER D

2009-08-24

The Sludge Treatment Project (STP) is considering two different concepts for the retrieval, loading, transport and interim storage of the K Basin sludge. The two design concepts under consideration are: (1) Hydraulic Loading Concept - In the hydraulic loading concept, the sludge is retrieved from the Engineered Containers directly into the Sludge Transport and Storage Container (STSC) while located in the STS cask in the modified KW Basin Annex. The sludge is loaded via a series of transfer, settle, decant, and filtration return steps until the STSC sludge transportation limits are met. The STSC is then transported to T Plant and placed in storage arrays in the T Plant canyon cells for interim storage. (2) Small Canister Concept - In the small canister concept, the sludge is transferred from the Engineered Containers (ECs) into a settling vessel. After settling and decanting, the sludge is loaded underwater into small canisters. The small canisters are then transferred to the existing Fuel Transport System (FTS) where they are loaded underwater into the FTS Shielded Transfer Cask (STC). The STC is raised from the basin and placed into the Cask Transfer Overpack (CTO), loaded onto the trailer in the KW Basin Annex for transport to T Plant. At T Plant, the CTO is removed from the transport trailer and placed on the canyon deck. The CTO and STC are opened and the small canisters are removed using the canyon crane and placed into an STSC. The STSC is closed, and placed in storage arrays in the T Plant canyon cells for interim storage. The purpose of the cost estimate is to provide a comparison of the two concepts described.

SLUDGE TREATMENT PROJECT COST COMPARISON BETWEEN HYDRAULIC LOADING AND SMALL CANISTER LOADING CONCEPTS

International Nuclear Information System (INIS)

Geuther, J.; Conrad, E.A.; Rhoadarmer, D.

2009-01-01

The Sludge Treatment Project (STP) is considering two different concepts for the retrieval, loading, transport and interim storage of the K Basin sludge. The two design concepts under consideration are: (1) Hydraulic Loading Concept - In the hydraulic loading concept, the sludge is retrieved from the Engineered Containers directly into the Sludge Transport and Storage Container (STSC) while located in the STS cask in the modified KW Basin Annex. The sludge is loaded via a series of transfer, settle, decant, and filtration return steps until the STSC sludge transportation limits are met. The STSC is then transported to T Plant and placed in storage arrays in the T Plant canyon cells for interim storage. (2) Small Canister Concept - In the small canister concept, the sludge is transferred from the Engineered Containers (ECs) into a settling vessel. After settling and decanting, the sludge is loaded underwater into small canisters. The small canisters are then transferred to the existing Fuel Transport System (FTS) where they are loaded underwater into the FTS Shielded Transfer Cask (STC). The STC is raised from the basin and placed into the Cask Transfer Overpack (CTO), loaded onto the trailer in the KW Basin Annex for transport to T Plant. At T Plant, the CTO is removed from the transport trailer and placed on the canyon deck. The CTO and STC are opened and the small canisters are removed using the canyon crane and placed into an STSC. The STSC is closed, and placed in storage arrays in the T Plant canyon cells for interim storage. The purpose of the cost estimate is to provide a comparison of the two concepts described

Magneto-transport and thermoelectric properties of La0.8-xBixCa0.2MnO3 manganites

International Nuclear Information System (INIS)

Manjunatha, S.O.; Rao, Ashok

2015-01-01

In the present work, we report the studies on the magneto-transport and thermoelectric properties of La 0.8-x Bi x Ca 0.2 MnO 3 (x = 0.00, 0.05, 0.10) manganites. The samples were prepared using the conventional solid state reaction method. Structural characterization has done using XRD. Rietveld refinement technique has confirmed the single phase formation of the samples with no impurity peaks observed within experimental limits. SEM micrograph confirms the formation of grains with good intimacy. The cell parameters and the unit cell volume is observed to decrease with increasing Bi concentration. It is attributed to the smaller ionic size of Bi compare to La. Magneto-resistance of the samples are measured using standard four probe technique. The Metal-Insulator transition (TMI) is found to decrease upon doping with overall increase in the resistivity. The observed effect is due to the fact that the Ca ions possibly increases the tendency of screening of 6s 2 orbital of Bi 3+ ions. As orientation of the 6s 2 lone pair toward a surrounding anion (O 2- ) produces a local distortion and as a result, the movement of eg electrons through the Mn-O-Mn bridges, is severely reduced. Resistance of the samples is observed to reduce on application of magnetic field of 8Tesla due to the fact that the magnetic field induces spin alignment and suppress the spin fluctuation resulting in large decrease in resistance. Thermopower measurement shows that all the samples are exhibiting the anomaly of phase transition from metal like behavior in low temperature to insulator like behavior at high temperature. As the temperature increases from 5K the pristine sample exhibit a small positive and nearly constant value of S till 172K. Then the value of S start to increase sharply and reaches a maximum value of ≈41μV/K at 234K and decreases rather sharply on further increase in temperature. The analysis of thermoelectric power data confirmed the validity of small polaron type conduction

Water Transport Mediated by Other Membrane Proteins.

Science.gov (United States)

Huang, Boyue; Wang, Hongkai; Yang, Baoxue

2017-01-01

Water transport through membrane is so intricate that there are still some debates. (Aquaporins) AQPs are entirely accepted to allow water transmembrane movement depending on osmotic gradient. Cotransporters and uniporters , however, are also concerned in water homeotatsis. Urea transporter B (UT-B) has a single-channel water permeability that is similar to AQP1. Cystic fibrosis transmembrane conductance regulator (CFTR ) was initially thought as a water channel but now not believed to transport water directly. By cotranporters, water is transported by water osmosis coupling with substrates, which explains how water is transported across the isolated small intestine. This chapter provides information about water transport mediated by other membrane proteins except AQPs .

Magnetic and electrical properties of In doped FeCr{sub 2}S{sub 4} compound

Energy Technology Data Exchange (ETDEWEB)

Sagredo, V. [Lab. de Magnetismo, Facultad de Ciencias, Universidad de los Andes, Merida, 5101 (Venezuela)], E-mail: sagredo@ula.ve; Davila, Y. [Lab. de Magnetismo, Facultad de Ciencias, Universidad de los Andes, Merida, 5101 (Venezuela); Goya, G.F. [Instituto Universitario de Investigacion en Nanociencia de Aragon, Zaragoza (Spain)

2008-07-15

Single crystals of FeIn{sub 1-x}Cr{sub 2x}S{sub 4} compounds have been grown by using the chemical transport method. DC magnetization measurements on single crystals for 0.6{<=}x{<=}1.0 revealed a reentrant behavior below T{sub sg}=120-170 K depending on the Cr concentration sample. The transition temperature T{sub c} increases as the indium concentration increases. The electrical resistivity measurements on polycrystalline materials above the Curie temperature revealed that the conduction behavior could be described as magnetic-polaron transport.

Role of molecular charge in nucleocytoplasmic transport.

Directory of Open Access Journals (Sweden)

Alexander Goryaynov

Full Text Available Transport of genetic materials and proteins between the nucleus and cytoplasm of eukaryotic cells is mediated by nuclear pore complexes (NPCs. A selective barrier formed by phenylalanine-glycine (FG nucleoporins (Nups with net positive charges in the NPC allows for passive diffusion of signal-independent small molecules and transport-receptor facilitated translocation of signal-dependent cargo molecules. Recently, negative surface charge was postulated to be another essential criterion for selective passage through the NPC. However, the charge-driven mechanism in determining the transport kinetics and spatial transport route for either passive diffusion or facilitated translocation remains obscure. Here we employed high-speed single-molecule fluorescence microscopy with an unprecedented spatiotemporal resolution of 9 nm and 400 µs to uncover these mechanistic fundamentals for nuclear transport of charged substrates through native NPCs. We found that electrostatic interaction between negative surface charges on transiting molecules and the positively charged FG Nups, although enhancing their probability of binding to the NPC, never plays a dominant role in determining their nuclear transport mode or spatial transport route. A 3D reconstruction of transport routes revealed that small signal-dependent endogenous cargo protein constructs with high positive surface charges that are destined to the nucleus, rather than repelled from the NPC as suggested in previous models, passively diffused through an axial central channel of the NPC in the absence of transport receptors. Finally, we postulated a comprehensive map of interactions between transiting molecules and FG Nups during nucleocytoplasmic transport by combining the effects of molecular size, signal and surface charge.

Comparison of "type I" and "type II" organic cation transport by organic cation transporters and organic anion-transporting polypeptides

NARCIS (Netherlands)

Van Montfoort, JE; Muller, M; Groothuis, GMM; Meijer, DKF; Koepsell, H; Meier, PJ

Previous inhibition studies with taurocholate and cardiac glycosides suggested the presence of separate uptake systems for small "type I" (system1) and for bulky "type II" (system2) organic cations in rat hepatocytes. To identify the transport systems involved in type I and type II organic cation

Thermal transport in cuprates, cobaltates, and manganites

International Nuclear Information System (INIS)

Berggold, K.

2006-09-01

The subject of this thesis is the investigation of the thermal transport properties of three classes of transition-metal oxides: Cuprates, cobaltates, and manganites. The layered cuprates R 2 CuO 4 with R=La, Pr, Nd, Sm, Eu, and Gd show an anomalous thermal conductivity κ. Two maxima of κ are observed as a function of temperature for a heat current within the CuO 2 planes, whereas for a heat current perpendicular to the CuO 2 planes only a conventional phononic low-temperature maximum of κ is present. Evidence is provided that the high-temperature maximum is caused by heat-carrying excitations on the CuO 2 square lattice. Moreover, it is shown that the complex low-temperature and magnetic-field behavior of κ in Nd 2 CuO 4 is most likely caused by additional phonon scattering rather than by heat-carrying Nd magnons, as it was proposed in the literature. In the cobaltates RCoO 3 with R=La, Pr, Nd, and Eu, a temperature-induced spin-state transition of the Co 3+ ions occurs. It is shown that the additional lattice disorder caused by the random distribution of populated higher spin states causes a large suppression of the thermal conductivity of LaCoO 3 for T>25 K. The effect is much weaker in PrCoO 3 and NdCoO 3 due to the increased spin gap. A quantitative analysis of the responsible mechanisms based on EuCoO 3 as a reference compound is provided. A main result is that the static disorder is sufficient to explain the suppression of κ. No dynamical Jahn-Teller distortion, as proposed in the literature, is necessary to enhance the scattering strength. Below 25 K, k is mainly determined by resonant phonon scattering on paramagnetic impurity levels, e.g. caused by oxygen non-stoichiometry. Such a suppression of the thermal conductivity by resonant scattering processes is e.g. known from Holmium ethylsulfate. This effect is most pronounced in LaCoO 3 , presumably due to magnetic polaron formation. In the doped compounds La 1-x Sr x CoO 3 with 0≤x≤0.25, a large

Drone transportation of blood products.

Science.gov (United States)

Amukele, Timothy; Ness, Paul M; Tobian, Aaron A R; Boyd, Joan; Street, Jeff

2017-03-01

Small civilian unmanned aerial vehicles (drones) are a novel way to transport small goods. To the best of our knowledge there are no studies examining the impact of drone transport on blood products, describing approaches to maintaining temperature control, or component physical characteristics during drone transport. Six leukoreduced red blood cell (RBC) and six apheresis platelet (PLT) units were split using sterile techniques. The larger parent RBC and PLT units, as well as six unthawed plasma units frozen within 24 hours of collection (FP24), were placed in a cooler, attached to the drone, and flown for up to 26.5 minutes with temperature logging. Ambient temperatures during the experimental window ranged between -1 and 18°C across 2 days. The difference between the ambient and unit temperatures was approximately 20°C for PLT and FP24 units. After flight, the RBC parent units were centrifuged and visually checked for hemolysis; the PLTs were checked for changes in mean PLT volumes (MPVs), pH, and PLT count; and the frozen air bubbles on the back of the FP24 units were examined for any changes in size or shape, as evidence of thawing. There was no evidence of RBC hemolysis; no significant changes in PLT count, pH, or MPVs; and no changes in the FP24 bubbles. The temperature of all units was maintained during transport and flight. There was no adverse impact of drone transport on RBC, PLT, or FP24 units. These findings suggest that drone transportation systems are a viable option for the transportation of blood products. © 2016 AABB.

Stochastic models of intracellular transport

KAUST Repository

Bressloff, Paul C.

2013-01-09

The interior of a living cell is a crowded, heterogenuous, fluctuating environment. Hence, a major challenge in modeling intracellular transport is to analyze stochastic processes within complex environments. Broadly speaking, there are two basic mechanisms for intracellular transport: passive diffusion and motor-driven active transport. Diffusive transport can be formulated in terms of the motion of an overdamped Brownian particle. On the other hand, active transport requires chemical energy, usually in the form of adenosine triphosphate hydrolysis, and can be direction specific, allowing biomolecules to be transported long distances; this is particularly important in neurons due to their complex geometry. In this review a wide range of analytical methods and models of intracellular transport is presented. In the case of diffusive transport, narrow escape problems, diffusion to a small target, confined and single-file diffusion, homogenization theory, and fractional diffusion are considered. In the case of active transport, Brownian ratchets, random walk models, exclusion processes, random intermittent search processes, quasi-steady-state reduction methods, and mean-field approximations are considered. Applications include receptor trafficking, axonal transport, membrane diffusion, nuclear transport, protein-DNA interactions, virus trafficking, and the self-organization of subcellular structures. © 2013 American Physical Society.

Preliminary study on performance of a coupled hydrodynamic and sediment transport model on small domain

Science.gov (United States)

Rasyif, Teuku M.; Kato, Shigeru; Syamsidik, Okabe, Takumi

2017-10-01

Numerical simulation is one of the useful tools to analyze natural phenomena in the earth such as the tsunami disaster. Several numerical models can simulate the tsunami wave from its generation, propagation, and inundation. However, most tsunami models do not include the sediment transport module. The tsunami wave actually induces a lot of sediment during the propagation in the coastal area. In the case of Indian Ocean Tsunami in 2004, massive morphological changes were caused by the tsunami waves around Sumatra coast. In Aceh, some areas eroded by the tsunami wave were living place for a local community. It is indispensable for the resident in the coastal area to estimate the risk of morphological changes due to a tsunami wave. Therefore, a model that can investigate the morphological changes due tsunami wave is necessary. The result of this model can be used to consider a countermeasure for tsunami wave impact in the coastal area, such as land-use management and planning. The COMCOT-SED model had been developed by several researchers. This model combines the hydrodynamic module and the sediment module. The aim of this study is to get general information about performance of the COMCOT-SED model and to modify the model for more accurate results. Firstly, the model was demonstrated in the ideal condition to confirm the model validity. Then, we evaluated the model performance comparing the model results and the laboratory experiment data which was conducted by other researcher. The authors found that the results of water level and bottom profile by the original model in the ideal condition are not suitable. The model modification will give us more suitable results. The modified model will be applied to simulate the tsunami wave and sediment transport in the small area.

Neoclassical transport optimization of LHD

Energy Technology Data Exchange (ETDEWEB)

Murakami, S.; Yamada, H.; Watanabe, K.Y. [National Inst. for Fusion Science, Toki, Gifu (Japan); Wakasa, A. [Hokkaido Univ., Graduate School of Engineering, Sapporo, Hokkaido (Japan); Maassberg, H.; Beidler, C.D. [Teilinstitut Greifswald, Max-Planck-Institut fuer Plasmaphysik, Greifswald (Germany)

2002-06-01

Neoclassical transport is studied for LHD configurations in which the magnetic axis has been shifted radially by determining the mono-energetic transport coefficient and the effective helical ripple. With respect to the transport in the long mean free path collisionality region - the so called 1/{nu} transport -, the optimum configuration is found when the magnetic axis has a major radius of 3.53m, which is 0.22m inward shifted from the standard'' configuration of LHD. In the optimized case, the effective helical ripple is very small, remaining below 2% inside 4/5 of the plasma radius. This indicates that a strong inward shift of the magnetic axis in the LHD can diminish the neoclassical transport to a level typical of so-called advanced stellarators''. (author)

Simulation of electron transport in GaAs/AlAs superlattices with a small number of periods for the THz frequency range

International Nuclear Information System (INIS)

Pavelyev, D. G.; Vasilev, A. P.; Kozlov, V. A.; Koschurinov, Yu. I.; Obolenskaya, E. S.; Obolensky, S. V.; Ustinov, V. M.

2016-01-01

The electron transport in superlattices based on GaAs/AlAs heterostructures with a small number of periods (6 periods) is calculated by the Monte Carlo method. These superlattices are used in terahertz diodes for the frequency stabilization of quantum cascade lasers in the range up to 4.7 THz. The band structure of superlattices with different numbers of AlAs monolayers is considered and their current–voltage characteristics are calculated. The calculated current–voltage characteristics are compared with the experimental data. The possibility of the efficient application of these superlattices in the THz frequency range is established both theoretically and experimentally.

Quantification of free water transport in peritoneal dialysis

NARCIS (Netherlands)

Smit, Watske; Struijk, Dirk G.; Ho-Dac-Pannekeet, Marja M.; Krediet, Raymond T.

2004-01-01

BACKGROUND: In peritoneal dialysis (PD) total net ultrafiltration (NUF) is dependent on transport through small pores and through water channels in the peritoneum. These channels are impermeable to solutes, and therefore, crystalloid osmotic-induced free water transport occurs through them. Several

Mass transit development for small urban areas; a case study: Tompkins County, N. Y. Second-year final report

Energy Technology Data Exchange (ETDEWEB)

Meyburg, A.H.

1976-11-01

This report presents the results of the second-year effort within a three-year research project to develop a transportation planning methodology for small urban areas concerned with the provision of public transportation service. This phase of the research concentrates on problems of access to health services, transportation service for the disadvantaged, potential coordination and integration of existing transportation systems, alternative systems designs and their evaluation, and suitable marketing and monitoring programs for public transportation service in small urban areas. This effort, together with elements of the first-year research will culminate in the preparation of a transit planning manual suitable for use by the transportation planner in small to medium-size urban areas.

Node-node correlations and transport properties in scale-free networks

Science.gov (United States)

Obregon, Bibiana; Guzman, Lev

2011-03-01

We study some transport properties of complex networks. We focus our attention on transport properties of scale-free and small-world networks and compare two types of transport: Electric and max-flow cases. In particular, we construct scale-free networks, with a given degree sequence, to estimate the distribution of conductances for different values of assortative/dissortative mixing. For the electric case we find that the distributions of conductances are affect ed by the assortative mixing of the network whereas for the max-flow case, the distributions almost do not show changes when node-node correlations are altered. Finally, we compare local and global transport in terms of the average conductance for the small-world (Watts-Strogatz) model

Internal transport barrier in tokamak and helical plasmas

Science.gov (United States)

Ida, K.; Fujita, T.

2018-03-01

The differences and similarities between the internal transport barriers (ITBs) of tokamak and helical plasmas are reviewed. By comparing the characteristics of the ITBs in tokamak and helical plasmas, the mechanisms of the physics for the formation and dynamics of the ITB are clarified. The ITB is defined as the appearance of discontinuity of temperature, flow velocity, or density gradient in the radius. From the radial profiles of temperature, flow velocity, and density the ITB is characterized by the three parameters of normalized temperature gradient, R/{L}T, the location, {ρ }{ITB}, and the width, W/a, and can be expressed by ‘weak’ ITB (small R/{L}T) or ‘strong’ (large R/{L}T), ‘small’ ITB (small {ρ }{ITB}) or ‘large’ ITB (large {ρ }{ITB}), and ‘narrow’ (small W/a) or ‘wide’ (large W/a). Three key physics elements for the ITB formation, radial electric field shear, magnetic shear, and rational surface (and/or magnetic island) are described. The characteristics of electron and ion heat transport and electron and impurity transport are reviewed. There are significant differences in ion heat transport and electron heat transport. The dynamics of ITB formation and termination is also discussed. The emergence of the location of the ITB is sometimes far inside the ITB foot in the steady-state phase and the ITB region shows radial propagation during the formation of the ITB. The non-diffusive terms in momentum transport and impurity transport become more dominant in the plasma with the ITB. The reversal of the sign of non-diffusive terms in momentum transport and impurity transport associated with the formation of the ITB reported in helical plasma is described. Non-local transport plays an important role in determining the radial profile of temperature and density. The spontaneous change in temperature curvature (second radial derivative of temperature) in the ITB region is described. In addition, the key parameters of the control of the

Research using small tokamaks

International Nuclear Information System (INIS)

1993-01-01

This document consists of a collection of papers presented at the IAEA Technical Committee Meeting on Research Using Small Tokamaks. It contains 22 papers on a wide variety of research aspects, including diagnostics, design, transport, equilibrium, stability, and confinement. Some of these papers are devoted to other concepts (stellarators, compact tori). Refs, figs and tabs

Imaging space charge regions in Sm-doped ceria using electrochemical strain microscopy

International Nuclear Information System (INIS)

Chen, Qian Nataly; Li, Jiangyu; Adler, Stuart B.

2014-01-01

Nanocrystalline ceria exhibits a total conductivity several orders of magnitude higher than microcrystalline ceria in air at high temperature. The most widely accepted theory for this enhancement (based on fitting of conductivity data to various transport and kinetic models) is that relatively immobile positively charged defects and/or impurities accumulate at the grain boundary core, leading to a counterbalancing increase in the number of mobile electrons (small polarons) within a diffuse space charge region adjacent to each grain boundary. In an effort to validate this model, we have applied electrochemical strain microscopy to image the location and relative population of mobile electrons near grain boundaries in polycrystalline Sm-doped ceria in air at 20–200 °C. Our results show the first direct (spatially resolved) evidence that such a diffuse space charge region does exist in ceria, and is localized to both grain boundaries and the gas-exposed surface

Imaging space charge regions in Sm-doped ceria using electrochemical strain microscopy

Energy Technology Data Exchange (ETDEWEB)

Chen, Qian Nataly; Li, Jiangyu, E-mail: jjli@uw.edu [Department of Mechanical Engineering, University of Washington, Seattle, Washington 98195 (United States); Adler, Stuart B., E-mail: stuadler@uw.edu [Department of Chemical Engineering, University of Washington, Seattle, Washington 98195 (United States)

2014-11-17

Nanocrystalline ceria exhibits a total conductivity several orders of magnitude higher than microcrystalline ceria in air at high temperature. The most widely accepted theory for this enhancement (based on fitting of conductivity data to various transport and kinetic models) is that relatively immobile positively charged defects and/or impurities accumulate at the grain boundary core, leading to a counterbalancing increase in the number of mobile electrons (small polarons) within a diffuse space charge region adjacent to each grain boundary. In an effort to validate this model, we have applied electrochemical strain microscopy to image the location and relative population of mobile electrons near grain boundaries in polycrystalline Sm-doped ceria in air at 20–200 °C. Our results show the first direct (spatially resolved) evidence that such a diffuse space charge region does exist in ceria, and is localized to both grain boundaries and the gas-exposed surface.

A new method for finding the minimum free energy pathway of ions and small molecule transportation through protein based on 3D-RISM theory and the string method

Science.gov (United States)

Yoshida, Norio

2018-05-01

A new method for finding the minimum free energy pathway (MFEP) of ions and small molecule transportation through a protein based on the three-dimensional reference interaction site model (3D-RISM) theory combined with the string method has been proposed. The 3D-RISM theory produces the distribution function, or the potential of mean force (PMF), for transporting substances around the given protein structures. By applying the string method to the PMF surface, one can readily determine the MFEP on the PMF surface. The method has been applied to consider the Na+ conduction pathway of channelrhodopsin as an example.

Management of small quantities of radioactive waste

International Nuclear Information System (INIS)

1998-09-01

The main objective of this publication is to provide practical guidance primarily to developing Member States on the predisposal management of small quantities of radioactive waste arising from hospitals, laboratories, industries, institutions, research reactors and research centres.The publication covers the management of liquid, solid and gaseous radioactive wastes at the users' premises and gives general guidance on procedures at a centralized waste management facility. Predisposal management of radioactive waste includes handling, treatment, conditioning, storage and transportation. This publication provides information and guidance on the following topics: national waste management framework; origin and characteristics of radioactive waste arising from users generating small quantities of waste; radioactive waste management concepts appropriate for small quantities; local waste management; the documentation and approval necessary for the consignment of waste to a centralized waste management facility; centralized waste management; exemption of radionuclides from the regulatory body; transportation; environmental monitoring; quality assurance for the whole predisposal process; regional co-operation aspects

Transmembrane molecular transport during versus after extremely large, nanosecond electric pulses.

Science.gov (United States)

Smith, Kyle C; Weaver, James C

2011-08-19

Recently there has been intense and growing interest in the non-thermal biological effects of nanosecond electric pulses, particularly apoptosis induction. These effects have been hypothesized to result from the widespread creation of small, lipidic pores in the plasma and organelle membranes of cells (supra-electroporation) and, more specifically, ionic and molecular transport through these pores. Here we show that transport occurs overwhelmingly after pulsing. First, we show that the electrical drift distance for typical charged solutes during nanosecond pulses (up to 100 ns), even those with very large magnitudes (up to 10 MV/m), ranges from only a fraction of the membrane thickness (5 nm) to several membrane thicknesses. This is much smaller than the diameter of a typical cell (∼16 μm), which implies that molecular drift transport during nanosecond pulses is necessarily minimal. This implication is not dependent on assumptions about pore density or the molecular flux through pores. Second, we show that molecular transport resulting from post-pulse diffusion through minimum-size pores is orders of magnitude larger than electrical drift-driven transport during nanosecond pulses. While field-assisted charge entry and the magnitude of flux favor transport during nanosecond pulses, these effects are too small to overcome the orders of magnitude more time available for post-pulse transport. Therefore, the basic conclusion that essentially all transmembrane molecular transport occurs post-pulse holds across the plausible range of relevant parameters. Our analysis shows that a primary direct consequence of nanosecond electric pulses is the creation (or maintenance) of large populations of small pores in cell membranes that govern post-pulse transmembrane transport of small ions and molecules. Copyright © 2011 Elsevier Inc. All rights reserved.

Small-size low-temperature scanning tunnel microscope

International Nuclear Information System (INIS)

Al'tfeder, I.B.; Khajkin, M.S.

1989-01-01

A small-size scanning tunnel microscope, designed for operation in transport helium-filled Dewar flasks is described. The microscope design contains a device moving the pin to the tested sample surface and a piezoelectric fine positioning device. High vibration protection of the microscope is provided by its suspension using silk threads. The small-size scanning tunnel microscope provides for atomic resolution

Energetics of Transport through the Nuclear Pore Complex

NARCIS (Netherlands)

Ghavami, Ali; van der Giessen, Erik; Onck, Patrick R

2016-01-01

Molecular transport across the nuclear envelope in eukaryotic cells is solely controlled by the nuclear pore complex (NPC). The NPC provides two types of nucleocytoplasmic transport: passive diffusion of small molecules and active chaperon-mediated translocation of large molecules. It has been shown

High Levels of Dietary Supplement Vitamins A, C and E are Absorbed in the Small Intestine and Protect Nutrient Transport Against Chronic Gamma Irradiation

Science.gov (United States)

Azzam, Edouard I.; Ferraris, Ronaldo P.; Howell, Roger W.

2015-01-01

We examined nutrient transport in the intestines of mice exposed to chronic low-LET 137Cs gamma rays. The mice were whole-body irradiated for 3 days at dose rates of 0, 0.13 and 0.20 Gy/h, for total dose delivery of 0, 9.6 or 14.4 Gy, respectively. The mice were fed either a control diet or a diet supplemented with high levels of vitamins A, C and E. Our results showed that nutrient transport was perturbed by the chronic irradiation conditions. However, no apparent alteration of the macroscopic intestinal structures of the small intestine were observed up to day 10 after initiating irradiation. Jejunal fructose uptake measured in vitro was strongly affected by the chronic irradiation, whereas uptake of proline, carnosine and the bile acid taurocholate in the ileum was less affected. D-glucose transport did not appear to be inhibited significantly by either 9.6 or 14.4 Gy exposure. In the 14.4 Gy irradiated groups, the diet supplemented with high levels of vitamins A, C and E increased intestinal transport of fructose compared to the control diet (day 10; t test, P = 0.032), which correlated with elevated levels of vitamins A, C and E in the plasma and jejunal enterocytes. Our earlier studies with mice exposed acutely to 137Cs gamma rays demonstrated significant protection for transport of fructose, glucose, proline and carnosine. Taken together, these results suggest that high levels of vitamins A, C and E dietary supplements help preserve intestinal nutrient transport when intestines are irradiated chronically or acutely with low-LET gamma rays. PMID:26484399

Fulltext PDF

Indian Academy of Sciences (India)

Unknown

better explained in terms of small polaron (Apple 1968). The excess electrons in a narrow conduction band (or excess holes in a narrow valence band) due to their inter- action with lattice ions distort the surrounding in such a way that potential well thereby generated is deep enough to introduce localization leading to the ...

EPR investigations of silicon carbide nanoparticles functionalized by acid doped polyaniline

Science.gov (United States)

Karray, Fekri; Kassiba, Abdelhadi

2012-06-01

Nanocomposites (SiC-PANI) based on silicon carbide nanoparticles (SiC) encapsulated in conducting polyaniline (PANI) are synthesized by direct polymerization of PANI on the nanoparticle surfaces. The conductivity of PANI and the nanocomposites was modulated by several doping levels of camphor sulfonic acid (CSA). Electron paramagnetic resonance (EPR) investigations were carried out on representative SiC-PANI samples over the temperature range [100-300 K]. The features of the EPR spectra were analyzed taking into account the paramagnetic species such as polarons with spin S=1/2 involved in two main environments realized in the composites as well as their thermal activation. A critical temperature range 200-225 K was revealed through crossover changes in the thermal behavior of the EPR spectral parameters. Insights on the electronic transport properties and their thermal evolutions were inferred from polarons species probed by EPR and the electrical conductivity in doped nanocomposites.

EPR investigations of silicon carbide nanoparticles functionalized by acid doped polyaniline

Energy Technology Data Exchange (ETDEWEB)

Karray, Fekri [Laboratoire des materiaux Ceramiques Composites et Polymeres, Faculte des Sciences de Sfax, BP 802, 3018 Sfax (Tunisia); Kassiba, Abdelhadi, E-mail: kassiba@univ-lemans.fr [Institute of Molecules and Materials of Le Mans (I3M), UMR-CNRS 6283, Universite du Maine, 72085 Le Mans (France)

2012-06-15

Nanocomposites (SiC-PANI) based on silicon carbide nanoparticles (SiC) encapsulated in conducting polyaniline (PANI) are synthesized by direct polymerization of PANI on the nanoparticle surfaces. The conductivity of PANI and the nanocomposites was modulated by several doping levels of camphor sulfonic acid (CSA). Electron paramagnetic resonance (EPR) investigations were carried out on representative SiC-PANI samples over the temperature range [100-300 K]. The features of the EPR spectra were analyzed taking into account the paramagnetic species such as polarons with spin S=1/2 involved in two main environments realized in the composites as well as their thermal activation. A critical temperature range 200-225 K was revealed through crossover changes in the thermal behavior of the EPR spectral parameters. Insights on the electronic transport properties and their thermal evolutions were inferred from polarons species probed by EPR and the electrical conductivity in doped nanocomposites.

Chiral transport of neutrinos in supernovae

Directory of Open Access Journals (Sweden)

Yamamoto Naoki

2017-01-01

Full Text Available The conventional neutrino transport theory for core-collapse supernovae misses one key property of neutrinos: the left-handedness. The chirality of neutrinos modifies the hydrodynamic behavior at the macroscopic scale and leads to topological transport phenomena. We argue that such transport phenomena should play important roles in the evolution of core-collapse supernovae, and, in particular, lead to a tendency toward the inverse energy cascade from small to larger scales, which may be relevant to the origin of the supernova explosion.

Quantitation of dopamine transporter blockade by methylphenidate: first in vivo investigation using [123I]FP-CIT and a dedicated small animal SPECT

International Nuclear Information System (INIS)

Nikolaus, Susanne; Wirrwar, Andreas; Antke, Christina; Arkian, Shahram; Mueller, Hans-Wilhelm; Larisch, Rolf; Schramm, Nils

2005-01-01

The aim of this study was to investigate the feasibility of assessing dopamine transporter binding after treatment with methylphenidate in the rat using a recently developed high-resolution small animal single-photon emission computed tomograph (TierSPECT) and [ 123 I]FP-CIT. [ 123 I]FP-CIT was administered intravenously 1 h after intraperitoneal injection of methylphenidate (10 mg/kg) or vehicle. Animals underwent scanning 2 h after radioligand administration. The striatum was identified by superimposition of [ 123 I]FP-CIT scans with bone metabolism and perfusion scans obtained with 99m Tc-DPD and 99m Tc-tetrofosmin, respectively. As these tracers do not pass the blood-brain barrier, their distribution permits the identification of extracerebral anatomical landmarks such as the orbitae and the harderian glands. The cerebellum was identified by superimposing [ 123 I]FP-CIT scans with images of brain perfusion obtained with 99m Tc-HMPAO. Methylphenidate-treated animals and vehicle-treated animals yielded striatal equilibrium ratios (V '' 3 ) of 0.24±0.26 (mean ± SD) and 1.09±0.42, respectively (ttest, two-tailed, p '' 3 values amounted to 0.05±0.28 (methylphenidate) and 0.3±0.39 (saline, p=0.176). This first in vivo study of rat dopamine transporter binding after pre-treatment with methylphenidate showed a mean reduction of 78% in striatal [ 123 I]FP-CIT accumulation. The results can be interpreted in terms of a pharmacological blockade in the rat striatum and show that in vivo quantitation of dopamine transporter binding is feasible with [ 123 I]FP-CIT and the TierSPECT. This may be of future relevance for in vivo investigations on rat models of attention deficit/hyperactivity disorder. Furthermore, our findings suggest that investigations in other animal models, e.g. of Parkinson's and Huntington's disease, may be feasible using SPECT radioligands and small animal imaging systems. (orig.)

Evaluating Molecular Properties Involved in Transport of Small Molecules in Stratum Corneum: A Quantitative Structure-Activity Relationship for Skin Permeability.

Science.gov (United States)

Chen, Chen-Peng; Chen, Chan-Cheng; Huang, Chia-Wen; Chang, Yen-Ching

2018-04-15

The skin permeability ( Kp ) defines the rate of a chemical penetrating across the stratum corneum. This value is widely used to quantitatively describe the transport of molecules in the outermost layer of epidermal skin and indicate the significance of skin absorption. This study defined a Kp quantitative structure-activity relationship (QSAR) based on 106 chemical substances of Kp measured using human skin and interpreted the molecular interactions underlying transport behavior of small molecules in the stratum corneum. The Kp QSAR developed in this study identified four molecular descriptors that described the molecular cyclicity in the molecule reflecting local geometrical environments, topological distances between pairs of oxygen and chlorine atoms, lipophilicity, and similarity to antineoplastics in molecular properties. This Kp QSAR considered the octanol-water partition coefficient to be a direct influence on transdermal movement of molecules. Moreover, the Kp QSAR identified a sub-domain of molecular properties initially defined to describe the antineoplastic resemblance of a compound as a significant factor in affecting transdermal permeation of solutes. This finding suggests that the influence of molecular size on the chemical's skin-permeating capability should be interpreted with other relevant physicochemical properties rather than being represented by molecular weight alone.

The safe transport of radioactive materials

International Nuclear Information System (INIS)

Swindell, G.E.

1975-01-01

In the course of transport by road, rail, sea and air, consignments of radioactive material are in close proximity to ordinary members of the public and in most cases they are loaded and unloaded by transport workers who have no special training or experience in the handling of radioactive substances. The materials being transported cover a wide variety - ranging from small batches of short-lived radionuclides used in medical practice which can be transported in small sealed lead pots in cardboard boxes, to large, extremely radioactive consignments of irradiated nuclear fuel in flasks weighing many tons. With the growing development of nuclear power programmes the transport of irradiated fuel is likely to increase markedly. It is clear that unless adequate regulations concerning the design and assembly of the packages containing these materials are precisely set down and strictly carried out, there would be a high probability that some of the radioactive contents would be released, leading to contamination of other transported goods and the general environment, and to the delivery of a radiation dose to the transport workers and the public. An additional requirement is that the transport should proceed smoothly and without delay. This is particularly important for radioactive materials of short half-life, which would lose significant amounts of their total activity in unnecessary delays at international boundaries. Therefore, it is essential that the regulations are also enforced, to ensure that the radioactive material is contained and the surrounding radiation level reduced to a value which poses no threat to other sensitive goods such as photographic film, or to transport workers and other passengers. These regulations should be as uniform as possible on an international basis, so that consignments can move freely from one country to another with as little delay as possible at the frontiers. (author)

Technology of Urban, Interurban and Rural Passenger Transport

Directory of Open Access Journals (Sweden)

Gordana Štefančić

2006-01-01

Full Text Available The work will consider the significance of various publictransport modes, since different methods of travel that form thetransport system are interconnected. The application of thelevel of service in one mode influences other transport modesand changes depending on the type of travel and is divided inthree groups: urban, interurban and rural travel. In consideringthe significance of urban public transport there are three levelsof trip-end generation/attraction, with which six types of urbantravel can be identified. lnterurban travel is presented throughtwo main transport modes, rail and bus. Apart from businesstrips, air travel is relatively insignificant, primarily because ofthe prices and small distances. In rural areas, characterized bylow population density, there is the problem of travelling of theelderly people, as well as those without cars, as the difficulty ofproviding economic public transport services has increased becausethe number of carried passengers is small. This results inthe reduction in mobility and the quality of life. Attempts havebeen made to improve the standard of provision of public transportservices by introducing unconventional transport means.

Interface phonon effect on optical spectra of quantum nanostructures

International Nuclear Information System (INIS)

Maslov, Alexander Yu.; Proshina, Olga V.; Rusina, Anastasia N.

2009-01-01

This paper deals with theory of large radius polaron effect in quantum wells, wires and dots. The interaction of charge particles and excitons with both bulk and interface optical phonons is taken into consideration. The analytical expression for polaron binding energy is obtained for different types of nanostructures. It is shown that the contribution of interface phonons to the polaron binding energy may exceed the bulk phonon part. The manifestation of polaron effects in optical spectra of quantum nanostructures is discussed.

Testing of elastomer seals using small-size rigs

International Nuclear Information System (INIS)

Leeks, C.W.E.; Dunford, B.; Barnfield, J.H.; Gray, I.L.S.

1997-01-01

This paper looks at the use of small size seal leakage test rigs to demonstrate the compliance of full size container seals against the IAEA Transport Regulation's limits for activity release for normal transport and accident conditions. The detailed requirements of the regulations are discussed and it is concluded that an appropriate test programme to meet these requirements using only small size test rigs, can normally be set up and carried out on a relatively short time scale. It is important that any small test rigs should be designed to represent the relevant features of the seal arrangement and the overall test programme should cover all of the conditions, specified by the regulations, for the type, classification and contents of the container under consideration. The parameters of elastomer O-rings, which affect their sealing ability, are considered and those which are amenable to small scale testing or have to be modelled at full size are identified. Generally, the seals used in leakage tests have to be modelled with a full size cross-section but can have a reduced peripheral length. (Author)

A transport synthetic acceleration method for transport iterations

International Nuclear Information System (INIS)

Ramone, G.L.; Adams, M.L.

1997-01-01

A family of transport synthetic acceleration (TSA) methods for iteratively solving within group scattering problems is presented. A single iteration in these schemes consists of a transport sweep followed by a low-order calculation, which itself is a simplified transport problem. The method for isotropic-scattering problems in X-Y geometry is described. The Fourier analysis of a model problem for equations with no spatial discretization shows that a previously proposed TSA method is unstable in two dimensions but that the modifications make it stable and rapidly convergent. The same procedure for discretized transport equations, using the step characteristic and two bilinear discontinuous methods, shows that discretization enhances TSA performance. A conjugate gradient algorithm for the low-order problem is described, a crude quadrature set for the low-order problem is proposed, and the number of low-order iterations per high-order sweep is limited to a relatively small value. These features lead to simple and efficient improvements to the method. TSA is tested on a series of problems, and a set of parameters is proposed for which the method behaves especially well. TSA achieves a substantial reduction in computational cost over source iteration, regardless of discretization parameters or material properties, and this reduction increases with the difficulty of the problem

Optimal protocols and optimal transport in stochastic thermodynamics.

Science.gov (United States)

Aurell, Erik; Mejía-Monasterio, Carlos; Muratore-Ginanneschi, Paolo

2011-06-24

Thermodynamics of small systems has become an important field of statistical physics. Such systems are driven out of equilibrium by a control, and the question is naturally posed how such a control can be optimized. We show that optimization problems in small system thermodynamics are solved by (deterministic) optimal transport, for which very efficient numerical methods have been developed, and of which there are applications in cosmology, fluid mechanics, logistics, and many other fields. We show, in particular, that minimizing expected heat released or work done during a nonequilibrium transition in finite time is solved by the Burgers equation and mass transport by the Burgers velocity field. Our contribution hence considerably extends the range of solvable optimization problems in small system thermodynamics.

Transport and fluxes of terrestrial polycyclic aromatic hydrocarbons in a small mountain river and submarine canyon system.

Science.gov (United States)

Lin, Bing-Sian; Lee, Chon-Lin; Brimblecombe, Peter; Liu, James T

2016-08-01

Polycyclic aromatic hydrocarbon (PAH) concentrations in the Gaoping River were investigated in the wet and dry seasons. PAH characteristics allowed us to trace the particulate matter transported in a river-sea system containing a small mountain river, continental shelf, and submarine canyon. PAH signatures of the Gaoping River showed that particles were rapidly transported from the high mountain to the Gaoping coastal areas in the wet season, even arriving at the deep ocean via the Gaoping Submarine Canyon. By contrast, in the dry season, the particles were delivered quite slowly and included mostly pyrogenic contaminants. The annual riverine flux estimates for PAHs were 2241 kg in the Gaoping river-sea system. Only 18.0 kg were associated with the dissolved phase; the rest was bound onto particles. The fluxes caused by typhoons and their effects accounted for 20.2% of the dissolved and 68.4% of the particulate PAH fluxes from the river. Normalized partition coefficients for organic carbon suggested that PAHs were rigid on the particles. Distinct source characteristics were evident for PAHs on riverine suspended particles and coastal surface sediments: the particles in the wet season (as background signals) were similar to petrogenic sources, whereas the particles in the dry season had characteristics of coal burning and vehicular emissions. The sediments in the northwestern shelf were similar to pyrogenic sources (including vehicular emissions and coal and biomass burning), whereas the sediments in the canyon and southeastern shelf arose from mixed sources, although some diesel signature was also evident. Copyright © 2016 Elsevier Ltd. All rights reserved.

Na⁺ Recirculation and Isosmotic Transport

DEFF Research Database (Denmark)

Larsen, Erik Hviid; Møbjerg, N

2006-01-01

of the absorbate. Mathematical modeling reproducing bioelectric and hydrosmotic properties of small intestine and proximal tubule, respectively, predicts a significant range of observations such as isosmotic transport, hyposmotic transport, solvent drag, anomalous solvent drag, the residual hydraulic permeability...... in proximal tubule of AQP1 (-/-) mice, and the inverse relationship between hydraulic permeability and the concentration difference needed to reverse transepithelial water flow. The model reproduces the volume responses of cells and lateral intercellular space (lis) following replacement of luminal Na...... external baths. Hyperosmolarity of lis is governed by the hydraulic permeability of the apical plasma membrane and tight junction with 6-7 mOsm in small intestine and

ANALYSIS OF PROCESS OF PROCUREMENT OF TRANSPORTATION EQUIPMENT OF A SMALL COMPANY

Directory of Open Access Journals (Sweden)

Cleverson Faber de Assis

2018-03-01

Full Text Available The case study presented here is to analyze the costs of purchase, hire or simple hiring of freight to carry out the transport of a manufacturer of insulated panels in the Greater São Paulo. The survey showed, as main objective, the comparison and evaluation of maintenance costs of the vehicle fleet in the case of own equipment the equipment rental value if the option is outsourcing the fleet. Justified the study, because transport is an extremely important activity within the company's logistics operation in question. The transport operation must be operated with the greatest possible efficiency, since it has a direct impact on product costs. The method used was the absorption costing, identifying all costs per vehicle. This method is based on the allocation of direct costs to the object according to their consumption. The methodology ranked as the purpose was exploratory and descriptive. As for the means they were used bibliographical research, document and case study. The approach to the problem was quantitative. With the presented results was simulated an investment plan, showing the advantages and disadvantages of each scenario presented above.

Structural, Transport and Electrochemical Properties of LiFePO4 Substituted in Lithium and Iron Sublattices (Al, Zr, W, Mn, Co and Ni)

Science.gov (United States)

Molenda, Janina; Kulka, Andrzej; Milewska, Anna; Zając, Wojciech; Świerczek, Konrad

2013-01-01

LiFePO4 is considered to be one of the most promising cathode materials for lithium ion batteries for electric vehicle (EV) application. However, there are still a number of unsolved issues regarding the influence of Li and Fe-site substitution on the physicochemical properties of LiFePO4. This is a review-type article, presenting results of our group, related to the possibility of the chemical modification of phosphoolivine by introduction of cation dopants in Li and Fe sublattices. Along with a synthetic review of previous papers, a large number of new results are included. The possibility of substitution of Li+ by Al3+, Zr4+, W6+ and its influence on the physicochemical properties of LiFePO4 was investigated by means of XRD, SEM/EDS, electrical conductivity and Seebeck coefficient measurements. The range of solid solution formation in Li1−3xAlxFePO4, Li1−4xZrxFePO4 and Li1−6xWxFePO4 materials was found to be very narrow. Transport properties of the synthesized materials were found to be rather weakly dependent on the chemical composition. The battery performance of selected olivines was tested by cyclic voltammetry (CV). In the case of LiFe1−yMyPO4 (M = Mn, Co and Ni), solid solution formation was observed over a large range of y (0 0.25 leads to considerably lower values of σ. The activated character of electrical conductivity with a rather weak temperature dependence of the Seebeck coefficient suggests a small polaron-type conduction mechanism. The electrochemical properties of LiFe1−yMyPO4 strongly depend on the Fe substitution level. PMID:28809235

Structural, Transport and Electrochemical Properties of LiFePO4 Substituted in Lithium and Iron Sublattices (Al, Zr, W, Mn, Co and Ni

Directory of Open Access Journals (Sweden)

Konrad Świerczek

2013-04-01

Full Text Available LiFePO4 is considered to be one of the most promising cathode materials for lithium ion batteries for electric vehicle (EV application. However, there are still a number of unsolved issues regarding the influence of Li and Fe-site substitution on the physicochemical properties of LiFePO4. This is a review-type article, presenting results of our group, related to the possibility of the chemical modification of phosphoolivine by introduction of cation dopants in Li and Fe sublattices. Along with a synthetic review of previous papers, a large number of new results are included. The possibility of substitution of Li+ by Al3+, Zr4+, W6+ and its influence on the physicochemical properties of LiFePO4 was investigated by means of XRD, SEM/EDS, electrical conductivity and Seebeck coefficient measurements. The range of solid solution formation in Li1−3xAlxFePO4, Li1−4xZrxFePO4 and Li1−6xWxFePO4 materials was found to be very narrow. Transport properties of the synthesized materials were found to be rather weakly dependent on the chemical composition. The battery performance of selected olivines was tested by cyclic voltammetry (CV. In the case of LiFe1−yMyPO4 (M = Mn, Co and Ni, solid solution formation was observed over a large range of y (0 0.25 leads to considerably lower values of σ. The activated character of electrical conductivity with a rather weak temperature dependence of the Seebeck coefficient suggests a small polaron-type conduction mechanism. The electrochemical properties of LiFe1−yMyPO4 strongly depend on the Fe substitution level.

Fluid flow and convective transport of solutes within the intervertebral disc

NARCIS (Netherlands)

Ferguson, S.J.; Ito, K.; Nolte, L.P.

2004-01-01

Previous experimental and analytical studies of solute transport in the intervertebral disc have demonstrated that for small molecules diffusive transport alone fulfils the nutritional needs of disc cells. It has been often suggested that fluid flow into and within the disc may enhance the transport

Nanoscale thermal transport

Science.gov (United States)

Cahill, David G.; Ford, Wayne K.; Goodson, Kenneth E.; Mahan, Gerald D.; Majumdar, Arun; Maris, Humphrey J.; Merlin, Roberto; Phillpot, Simon R.

2003-01-01

Rapid progress in the synthesis and processing of materials with structure on nanometer length scales has created a demand for greater scientific understanding of thermal transport in nanoscale devices, individual nanostructures, and nanostructured materials. This review emphasizes developments in experiment, theory, and computation that have occurred in the past ten years and summarizes the present status of the field. Interfaces between materials become increasingly important on small length scales. The thermal conductance of many solid-solid interfaces have been studied experimentally but the range of observed interface properties is much smaller than predicted by simple theory. Classical molecular dynamics simulations are emerging as a powerful tool for calculations of thermal conductance and phonon scattering, and may provide for a lively interplay of experiment and theory in the near term. Fundamental issues remain concerning the correct definitions of temperature in nonequilibrium nanoscale systems. Modern Si microelectronics are now firmly in the nanoscale regime—experiments have demonstrated that the close proximity of interfaces and the extremely small volume of heat dissipation strongly modifies thermal transport, thereby aggravating problems of thermal management. Microelectronic devices are too large to yield to atomic-level simulation in the foreseeable future and, therefore, calculations of thermal transport must rely on solutions of the Boltzmann transport equation; microscopic phonon scattering rates needed for predictive models are, even for Si, poorly known. Low-dimensional nanostructures, such as carbon nanotubes, are predicted to have novel transport properties; the first quantitative experiments of the thermal conductivity of nanotubes have recently been achieved using microfabricated measurement systems. Nanoscale porosity decreases the permittivity of amorphous dielectrics but porosity also strongly decreases the thermal conductivity. The

Quantitation of dopamine transporter blockade by methylphenidate: first in vivo investigation using [{sup 123}I]FP-CIT and a dedicated small animal SPECT

Energy Technology Data Exchange (ETDEWEB)

Nikolaus, Susanne; Wirrwar, Andreas; Antke, Christina; Arkian, Shahram; Mueller, Hans-Wilhelm; Larisch, Rolf [Heinrich-Heine University, Clinic of Nuclear Medicine, Duesseldorf (Germany); Schramm, Nils [Research Center Juelich, Central Laboratory for Electronics, Juelich (Germany)

2005-03-01

The aim of this study was to investigate the feasibility of assessing dopamine transporter binding after treatment with methylphenidate in the rat using a recently developed high-resolution small animal single-photon emission computed tomograph (TierSPECT) and [{sup 123}I]FP-CIT. [{sup 123}I]FP-CIT was administered intravenously 1 h after intraperitoneal injection of methylphenidate (10 mg/kg) or vehicle. Animals underwent scanning 2 h after radioligand administration. The striatum was identified by superimposition of [{sup 123}I]FP-CIT scans with bone metabolism and perfusion scans obtained with {sup 99m}Tc-DPD and {sup 99m}Tc-tetrofosmin, respectively. As these tracers do not pass the blood-brain barrier, their distribution permits the identification of extracerebral anatomical landmarks such as the orbitae and the harderian glands. The cerebellum was identified by superimposing [{sup 123}I]FP-CIT scans with images of brain perfusion obtained with {sup 99m}Tc-HMPAO. Methylphenidate-treated animals and vehicle-treated animals yielded striatal equilibrium ratios (V''{sub 3}) of 0.24{+-}0.26 (mean {+-} SD) and 1.09{+-}0.42, respectively (ttest, two-tailed, p<0.0001). Cortical V''{sub 3} values amounted to 0.05{+-}0.28 (methylphenidate) and 0.3{+-}0.39 (saline, p=0.176). This first in vivo study of rat dopamine transporter binding after pre-treatment with methylphenidate showed a mean reduction of 78% in striatal [{sup 123}I]FP-CIT accumulation. The results can be interpreted in terms of a pharmacological blockade in the rat striatum and show that in vivo quantitation of dopamine transporter binding is feasible with [{sup 123}I]FP-CIT and the TierSPECT. This may be of future relevance for in vivo investigations on rat models of attention deficit/hyperactivity disorder. Furthermore, our findings suggest that investigations in other animal models, e.g. of Parkinson's and Huntington's disease, may be feasible using SPECT radioligands and

Phonon-assisted hopping of an electron on a Wannier-Stark ladder in a strong electric field

International Nuclear Information System (INIS)

Emin, D.; Hart, C.F.

1987-01-01

With the application of a spatially constant electric field, the degeneracy of electronic energy levels of geometrically equivalent sites of a crystal is generally lifted. As a result, the electric field causes the electronic eigenstates of a one-dimensional periodic chain to become localized. In particular, they are Wannier-Stark states. With sufficiently large electric-field strengths these states become sufficiently well localized that it becomes appropriate to consider electronic transport to occur via a succession of phonon-assisted hops between the localized Wannier-Stark states. In this paper, we present calculations of the drift velocity arising from acoustic- and optical-phonon-assisted hopping motion between Wannier-Stark states. When the intersite electronic transfer energy is sufficiently small so that the Wannier-Stark states are essentially each confined to a single atomic site, the transport reduces to that of a small polaron. In this regime, while the drift velocity initially rises with increasing electric field strength, the drift velocity ultimately falls with increasing electric-field strength at extremely large electric fields. More generally, for common values of the electronic bandwidth and electric field strength, the Wannier-Stark states span many sites. At sufficiently large electric fields, the energy separation between Wannier-Stark states exceeds the energy uncertainty associated with the carrier's interaction with phonons. Then, it is appropriate to treat the electronic transport in terms of phonon-assisted hopping between Wannier-Stark states. The resulting high-field drift velocity falls with increasing field strength in a series of steps. Thus, we find a structured negative differential mobility at large electric fields

X transport and its effect on H-mode and edge pedestal in tokamaks

International Nuclear Information System (INIS)

Chang, C.S.; Darrow, D.; White, R.; Lin, Z.; Lee, W.; Ku, S.H.; Weitzner, H.; Carlstrom, T.N.; Grassie, J.S. de

2001-01-01

A new classical non-ambipolar transport mechanism has been identified which can be a dominant source of strong Er and edge pedestal layer formation immediately inside the separatrix in a diverted tokamak. Due to vanishingly small poloidal B-field and grad-B drift toward x-point, plasma ions with small ν parallel in the X-region do not have confined single particle orbits. This leads to a non-ambipolar convective transport in the X-region (X-transport), either collisional or collisionless, inducing a strong negative Er-shear layer. The X-transport can provide basic understanding of many of the experimental observations. (author)

MX chains: 1-D analog of CuO planes?

International Nuclear Information System (INIS)

Gammel, J.T.; Batistic, I.; Bishop, A.R.; Loh, E.Y. Jr.; Marianer, S.

1989-01-01

We study a two-band Peierls-Hubbard model for halogen-bridged mixed-valence transition metal linear chain complexes (MX chains). We include electron-electron correlations (both Hubbard and PPP-like expressions) using several techniques including calculations in the zero-hopping limit, exact diagonalization of small systems, mean field approximation, and a Gutzwiller-like Ansatz for quantum phonons. The adiabatic optical absorption and phonon spectra for both photo-excited and doping induced defects (kinks, polarons, bipolarons, and excitons) are discussed. A long period phase which occurs even at commensurate filling for certain parameter values may be related to twinning. The effect of including the electron-phonon in addition to the electron-electron interaction on the polaron/bipolaron (pairing) competition is especially interesting when this class of compounds is viewed as a 1-D analog of high-temperature superconductors. 6 refs., 4 figs

Evaluating Molecular Properties Involved in Transport of Small Molecules in Stratum Corneum: A Quantitative Structure-Activity Relationship for Skin Permeability

Directory of Open Access Journals (Sweden)

Chen-Peng Chen

2018-04-01

Full Text Available The skin permeability (Kp defines the rate of a chemical penetrating across the stratum corneum. This value is widely used to quantitatively describe the transport of molecules in the outermost layer of epidermal skin and indicate the significance of skin absorption. This study defined a Kp quantitative structure-activity relationship (QSAR based on 106 chemical substances of Kp measured using human skin and interpreted the molecular interactions underlying transport behavior of small molecules in the stratum corneum. The Kp QSAR developed in this study identified four molecular descriptors that described the molecular cyclicity in the molecule reflecting local geometrical environments, topological distances between pairs of oxygen and chlorine atoms, lipophilicity, and similarity to antineoplastics in molecular properties. This Kp QSAR considered the octanol-water partition coefficient to be a direct influence on transdermal movement of molecules. Moreover, the Kp QSAR identified a sub-domain of molecular properties initially defined to describe the antineoplastic resemblance of a compound as a significant factor in affecting transdermal permeation of solutes. This finding suggests that the influence of molecular size on the chemical’s skin-permeating capability should be interpreted with other relevant physicochemical properties rather than being represented by molecular weight alone.

Reciprocal carrier collection in organic photovoltaics

KAUST Repository

Renshaw, C. Kyle

2011-07-18

Buffer layers between the acceptor and cathode can perform several functions in organic photovoltaic devices, such as providing exciton blocking, protection of active layers against damage from cathode deposition, and optical spacing to maximize the electric field in the active device region. Here, we study electron collection by replacing the common buffer layer, bathocuproine, with a series of six, substituted tris(β-diketonato)Ru(III) analogues in the structure: indium-tin-oxide/copper phthalocyanine/C60/buffer/Ag. These buffer layers enable collection of photogenerated electrons by transporting holes from the cathode to the C60/buffer interface, followed by recombination with photogenerated electrons in the acceptor. We use a model for free-polaron and polaron-pair dynamics to describe device operation and the observed inflection in the current-voltage characteristics. The device characteristics are understood in terms of hole transfer from the highest occupied molecular orbital energy levels of several Ru-complexes to the acceptor. © 2011 American Physical Society.

Reciprocal carrier collection in organic photovoltaics

KAUST Repository

Renshaw, C. Kyle; Schlenker, Cody W.; Thompson, Mark E.; Forrest, Stephen R.

2011-01-01

Buffer layers between the acceptor and cathode can perform several functions in organic photovoltaic devices, such as providing exciton blocking, protection of active layers against damage from cathode deposition, and optical spacing to maximize the electric field in the active device region. Here, we study electron collection by replacing the common buffer layer, bathocuproine, with a series of six, substituted tris(β-diketonato)Ru(III) analogues in the structure: indium-tin-oxide/copper phthalocyanine/C60/buffer/Ag. These buffer layers enable collection of photogenerated electrons by transporting holes from the cathode to the C60/buffer interface, followed by recombination with photogenerated electrons in the acceptor. We use a model for free-polaron and polaron-pair dynamics to describe device operation and the observed inflection in the current-voltage characteristics. The device characteristics are understood in terms of hole transfer from the highest occupied molecular orbital energy levels of several Ru-complexes to the acceptor. © 2011 American Physical Society.

The coupling of runoff and dissolved organic matter transport: Insights from in situ fluorescence measurements in small streams and large rivers

Science.gov (United States)

Pellerin, B. A.; Bergamaschi, B. A.; Downing, B. D.; Saraceno, J.; Shanley, J. B.; Aiken, G.; Murdoch, P. S.

2011-12-01

Understanding dissolved organic matter (DOM) dynamics in streams and rivers can help characterize mercury transport, assess causes of drinking water issues, and lead to improved understanding of watershed source areas and carbon loads to downstream ecosystems. However, traditional sampling approaches that collect discrete concentration data at weekly to monthly intervals often fail to adequately capture hydrological pulses ranging from early snowmelt periods to short-duration rainfall events. Continuous measurements of chromophoric dissolved organic matter fluorescence (FDOM) in rivers and streams now provide an opportunity to more accurately quantify DOM loads and processes in aquatic ecosystems at a range of scales. In this study, we used continuous FDOM data from in situ sensors along with discharge data to assess the coupling of FDOM transport and runoff in small streams and large rivers. Results from headwater catchments in New England and California show that FDOM is tightly coupled with runoff, supporting strong linkages between watershed flow paths and DOM concentrations in streams. Results also show that the magnitude of FDOM response relative to runoff varies seasonally, with highest concentrations during autumn rainfall events (after leaf fall) and lower concentrations during peak snowmelt for equivalent runoff. In large river basins, FDOM dynamics are also coupled with runoff and exhibit the same seasonal variability in the magnitude of FDOM response relative to discharge. However, the peaks in FDOM typically lag runoff by several days, reflecting the influence of a variety of factors such as water residence times, reservoir releases, and connectivity to organic matter-rich riparian floodplains and wetlands. Our results show that in situ FDOM data will be important for understanding the coupling of runoff and DOM across multiple scales and could serve a critical role in monitoring, assessment and decision-making in both small and large watersheds.

Why does the energy intensity of freight transport rise?

Energy Technology Data Exchange (ETDEWEB)

Scheele, D [Scientific Council for Government Policy (Netherlands)

1996-12-01

In advanced economies it is normal to observe declining energy intensities. Both improvements in conversion efficiency and in organisational efficiency of energy use cause energy demand to grow at a slower pace than the economy. In this context it is somewhat particular that in the vital sector of freight transport the energy intensity does not decline, but instead increases. The energy demand of this sector only takes a small share of the total energy demand. According to the World Energy Council the transport sector takes 30 percent of world energy demand and freight transport again takes 30 percent of the transport sector share, maritime transport excluded. Despite this small share some explanation is needed why the increase in energy demand form the volume growth of freight demand is not at least partly countered by a decline in the energy intensity. The purpose of this paper is to review some of the explanations that are given in the literature and to support these explanations with empirical evidence on the case of the Netherlands. (EG)

Canadian hydrocarbon transportation system : transportation assessment

International Nuclear Information System (INIS)

2006-06-01

This document provided an assessment of the Canadian hydrocarbon transportation system. In addition to regulating the construction and operation of Canada's 45,000 km of pipeline that cross international and provincial borders, Canada's National Energy Board (NEB) regulates the trade of natural gas, oil and natural gas liquids. The ability of pipelines to delivery this energy is critical to the country's economic prosperity. The pipeline system includes large-diameter, cross-country, high-pressure natural gas pipelines, low-pressure crude oil and oil products pipelines and small-diameter pipelines. In order to assess the hydrocarbon transportation system, staff at the NEB collected data from pipeline companies and a range of publicly available sources. The Board also held discussions with members of the investment community regarding capital markets and emerging issues. The assessment focused largely on evaluating whether Canadians benefit from an efficient energy infrastructure and markets. The safety and environmental integrity of the pipeline system was also evaluated. The current adequacy of pipeline capacity was assessed based on price differentials compared with firm service tolls for major transportation paths; capacity utilization on pipelines; and, the degree of apportionment on major oil pipelines. The NEB concluded that the Canadian hydrocarbon transportation system is working effectively, with an adequate capacity in place on existing natural gas pipelines, but with a tight capacity on oil pipelines. It was noted that shippers continue to indicate that they are reasonably satisfied with the services provided by pipeline companies and that the NEB-regulated pipeline companies are financially stable. 14 refs, 11 tabs., 28 figs., 4 appendices

High-Energy Beam Transport system

International Nuclear Information System (INIS)

Melson, K.E.; Farrell, J.A.; Liska, D.J.

1979-01-01

The High-Energy Beam Transport (HEBT) system for the Fusion Materials Irradiation Test (FMIT) Facility is to be installed at the Hanford Engineering Development Laboratory (HEDL) at Richland, Washington. The linear accelerator must transport a large emittance, high-current, high-power, continuous-duty deuteron beam with a large energy spread either to a lithium target or a beam stop. A periodic quadrupole and bending-magnet system provides the beam transport and focusing on target with small beam aberrations. A special rf cavity distributes the energy in the beam so that the Bragg Peak is distributed within the lithium target. Operation of the rf control system, the Energy Dispersion Cavity (EDC), and the beam transport magnets is tested on the beam stop during accelerator turn-on. Characterizing the beam will require extensions of beam diagnostic techniques and noninterceptive sensors. Provisions are being made in the facility for suspending the transport system from overhead supports using a cluster system to simplify maintenance and alignment techniques