First-principles study of electronic structure modulations in graphene on Ru(0001) by Au intercalation

NASA Astrophysics Data System (ADS)

Nishidate, Kazume; Tanibayashi, Satoru; Yoshimoto, Noriyuki; Hasegawa, Masayuki

2018-03-01

First-principles calculations based on density functional theory are used to explore the electronic-structure modulations in graphene on Ru(0001) by Au intercalation. We first use a lattice-matched model to demonstrate that a substantial band gap is induced in graphene by sufficiently strong A-B sublattice symmetry breaking. This band gap opening occurs even in the absence of hybridization between graphene π states and Au states, and a strong sublattice asymmetry is established for a small separation (d ) between the graphene and Au layer, typically, d <3.0 Å , which can actually be achieved for a low Au coverage. In realistic situations, which are mimicked using lattice-mismatched models, graphene π states near the Dirac point easily hybridize with nearby (in energy) Au states even for a van der Waals distance, d ˜3.4 Å , and this hybridization usually dictates a band gap opening in graphene. In that case, the top parts of the intact Dirac cones survive the hybridization and are isolated to form midgap states within the hybridization gap, denying that the band gap is induced by sublattice symmetry breaking. This feature of a band gap opening is similar to that found for the so-called "first" graphene layer on silicon carbide (SiC) and the predicted band gap and doping level are in good agreement with the experiments for graphene/Au/Ru(0001).

Electronic properties of T graphene-like C-BN sheets: A density functional theory study

NASA Astrophysics Data System (ADS)

Majidi, R.

2015-11-01

We have used density functional theory to study the electronic properties of T graphene-like C, C-BN and BN sheets. The planar T graphene with metallic property has been considered. The results show that the presence of BN has a considerable effect on the electronic properties of T graphene. The T graphene-like C-BN and BN sheets show semiconducting properties. The energy band gap is increased by enhancing the number of BN units. The possibility of opening and controlling band gap opens the door for T graphene in switchable electronic devices.

Band gap opening and optical absorption enhancement in graphene using ZnO nanocluster

NASA Astrophysics Data System (ADS)

Monshi, M. M.; Aghaei, S. M.; Calizo, I.

2018-05-01

Electronic, optical and transport properties of the graphene/ZnO heterostructure have been explored using first-principles density functional theory. The results show that Zn12O12 can open a band gap of 14.5 meV in graphene, increase its optical absorption by 1.67 times covering the visible spectrum which extends to the infra-red (IR) range, and exhibits a slight non-linear I-V characteristic depending on the applied bias. These findings envisage that a graphene/Zn12O12 heterostructure can be appropriate for energy harvesting, photodetection, and photochemical devices.

Controlling the electronic structure of graphene using surface-adsorbate interactions

DOE PAGES

Matyba, Piotr; Carr, Adra; Chen, Cong; ...

2015-07-15

Hybridization of atomic orbitals in graphene on Ni(111) opens up a large energy gap of ≈2.8eV between nonhybridized states at the K point. Here we use alkali-metal adsorbate to reduce and even eliminate this energy gap, and also identify a new mechanism responsible for decoupling graphene from the Ni substrate without intercalation of atomic species underneath. Using angle-resolved photoemission spectroscopy and density functional theory calculations, we show that the energy gap is reduced to 1.3 eV due to moderate decoupling after adsorption of Na on top of graphene. Calculations confirm that after adsorption of Na, graphene bonding to Ni ismore » much weaker due to a reduced overlap of atomic orbitals, which results from n doping of graphene. Finally, we show that the energy gap is eliminated by strong decoupling resulting in a quasifreestanding graphene, which is achieved by subsequent intercalation of the Na underneath graphene. Furthermore, the ability to partially decouple graphene from a Ni substrate via n doping, with or without intercalation, suggests that the graphene-to-substrate interaction could be controlled dynamically.« less

Phosphorus doped graphene by inductively coupled plasma and triphenylphosphine treatments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shin, Dong-Wook, E-mail: shindong37@skku.edu; Kim, Tae Sung; Yoo, Ji-Beom, E-mail: jbyoo@skku.edu

Highlights: • Substitution doping is a promising method for opening the energy band gap of graphene. • Substitution doping with phosphorus in the graphene lattice has numerous advantage such as high band gap, low formation energy, and high net charge density compared to nitrogen. • V{sub dirac} of Inductively coupled plasma (ICP) and triphenylphosphine (TPP) treated graphene was −57 V, which provided clear evidence of n-type doping. • Substitutional doping of graphene with phosphorus is verified by the XPS spectra of P 2p core level and EELS mapping of phosphorus. • The chemical bonding between P and graphene is verymore » stable for a long time in air (2 months). - Abstract: Graphene is considered a host material for various applications in next-generation electronic devices. However, despite its excellent properties, one of the most important issues to be solved as an electronic material is the creation of an energy band gap. Substitution doping is a promising method for opening the energy band gap of graphene. Herein, we demonstrate the substitutional doping of graphene with phosphorus using inductively coupled plasma (ICP) and triphenylphosphine (TPP) treatments. The electrical transfer characteristics of the phosphorus doped graphene field effect transistor (GFET) have a V{sub dirac} of ∼ − 54 V. The chemical bonding between P and C was clearly observed in XPS spectra, and uniform distribution of phosphorus within graphene domains was confirmed by EELS mapping. The capability for substitutional doping of graphene with phosphorus can significantly promote the development of graphene based electronic devices.« less

Energy Literacy: A Natural and Essential Part of a Solutions-Based Approach to Climate Literacy

NASA Astrophysics Data System (ADS)

Inman, M. M.

2011-12-01

As with climate science topics, many Americans have misconceptions or gaps in understanding related to energy topics. Recent literacy efforts are geared to address these gaps in understanding. The U.S. Global Change Research Program's recently published "Energy Literacy: Essential Principles and Fundamental Concepts for Energy Education" offers a welcome complement to the Climate Literacy Essential Principles released in 2008. Research and experience suggest that education, communication and outreach about global climate change and related topics is best done using a solutions-based approach. Energy is a natural and effective topic to frame these solutions around. Used as a framework for designing curricula, Energy Literacy naturally leads to solutions-based approaches to Climate Change education. An inherently interdisciplinary topic, energy education must happen in the context of both the natural and social sciences. The Energy Literacy Essential Principles reflect this and open the door to curriculum that integrates the two.

Undecidability of the spectral gap.

PubMed

Cubitt, Toby S; Perez-Garcia, David; Wolf, Michael M

2015-12-10

The spectral gap--the energy difference between the ground state and first excited state of a system--is central to quantum many-body physics. Many challenging open problems, such as the Haldane conjecture, the question of the existence of gapped topological spin liquid phases, and the Yang-Mills gap conjecture, concern spectral gaps. These and other problems are particular cases of the general spectral gap problem: given the Hamiltonian of a quantum many-body system, is it gapped or gapless? Here we prove that this is an undecidable problem. Specifically, we construct families of quantum spin systems on a two-dimensional lattice with translationally invariant, nearest-neighbour interactions, for which the spectral gap problem is undecidable. This result extends to undecidability of other low-energy properties, such as the existence of algebraically decaying ground-state correlations. The proof combines Hamiltonian complexity techniques with aperiodic tilings, to construct a Hamiltonian whose ground state encodes the evolution of a quantum phase-estimation algorithm followed by a universal Turing machine. The spectral gap depends on the outcome of the corresponding 'halting problem'. Our result implies that there exists no algorithm to determine whether an arbitrary model is gapped or gapless, and that there exist models for which the presence or absence of a spectral gap is independent of the axioms of mathematics.

Improvement of effectiveness of existing Casuarina equisetifolia forests in mitigating tsunami damage.

PubMed

Samarakoon, M B; Tanaka, Norio; Iimura, Kosuke

2013-01-15

Coastal vegetation can play a significant role in reducing the severity of a tsunami because the energy associated with the tsunami is dissipated when it passes through coastal vegetation. Field surveys were conducted on the eastern coastline of Sri Lanka to investigate which vegetation species are effective against a tsunami and to evaluate the effectiveness of existing Casuarina equisetifolia forests in tsunami mitigation. Open gaps in C. equisetifolia forests were identified as a disadvantage, and introduction of a new vegetation belt in front or back of the existing C. equisetifolia forest is proposed to reduce the disadvantages of the open gap. Among the many plant species encountered during the field survey, ten species were selected as effective for tsunami disaster mitigation. The selection of appropriate vegetation for the front or back vegetation layer was based on the vegetation thickness per unit area (dN(u)) and breaking moment of each species. A numerical model based on two-dimensional nonlinear long-wave equations was applied to explain the present situation of open gaps in C. equisetifolia forests, and to evaluate the effectiveness of combined vegetation systems. The results of the numerical simulation for existing conditions of C. equisetifolia forests revealed that the tsunami force ratio (R = tsunami force with vegetation/tsunami force without vegetation) was 1.4 at the gap exit. The species selected for the front and back vegetation layers were Pandanus odoratissimus and Manilkara hexandra, respectively. A numerical simulation of the modified system revealed that R was reduced to 0.7 in the combined P. odoratissimus and C. equisetifolia system. However, the combination of C. equisetifolia and M. hexandra did not effectively reduce R at the gap exit. Therefore, P. odoratissimus as the front vegetation layer is proposed to reduce the disadvantages of the open gaps in existing C. equisetifolia forests. The optimal width of P. odoratissimus (W(1)) calculated from the numerical simulation was W(1) = 10 m. R at the exit of a 15-m-wide open gap was 0.8, and therefore the proposed system was appropriate for cases with the highest velocity at the gap exit as well. Establishment of a new front vegetation layer except for open gaps that are essential, such as access roads to the beach, is proposed. Copyright © 2012 Elsevier Ltd. All rights reserved.

Chiral zero energy modes in two-dimensional disordered Dirac semimetals

NASA Astrophysics Data System (ADS)

Liu, Lei; Yu, Yan; Wu, Hai-Bin; Zhang, Yan-Yang; Liu, Jian-Jun; Li, Shu-Shen

2018-04-01

The vacancy-induced chiral zero energy modes (CZEMs) of chiral-unitary-class (AIII) and chiral-symplectic-class (CII) two-dimensional (2 D ) disordered Dirac semimetals realized on a square bipartite lattice are investigated numerically by using the Kubo-Greenwood formula with the kernel polynomial method. The results show that, for both systems, the CZEMs exhibit the critical delocalization. The CZEM conductivity remains a robust constant (i.e., σ CZEM≈1.05 e2/h ), which is insensitive to the sample sizes, the vacancy concentrations, and the numbers of moments of Chebyshev polynomials, i.e., the dephasing strength. For both kinds of chiral systems, the CZEM conductivities are almost identical. However, they are not equal to that of graphene (i.e., 4 e2/π h ), which belongs to the chiral orthogonal class (BDI) semimetal on a 2 D hexagonal bipartite lattice. In addition, for the case that the vacancy concentrations are different in the two sublattices, the CZEM conductivity vanishes, and thus both systems exhibit localization at the Dirac point. Moreover, a band gap and a mobility gap open around zero energy. The widths of the energy gaps and mobility gaps are increasing with larger vacancy concentration difference. The width of the mobility gap is greater than that of the band gap, and a δ -function-like peak of density of states emerges at the Dirac point within the band gap, implying the existence of numerous localized states.

Origin of band gaps in graphene on hexagonal boron nitride

PubMed Central

Jung, Jeil; DaSilva, Ashley M.; MacDonald, Allan H.; Adam, Shaffique

2015-01-01

Recent progress in preparing well-controlled two-dimensional van der Waals heterojunctions has opened up a new frontier in materials physics. Here we address the intriguing energy gaps that are sometimes observed when a graphene sheet is placed on a hexagonal boron nitride substrate, demonstrating that they are produced by an interesting interplay between structural and electronic properties, including electronic many-body exchange interactions. Our theory is able to explain the observed gap behaviour by accounting first for the structural relaxation of graphene’s carbon atoms when placed on a boron nitride substrate, and then for the influence of the substrate on low-energy π-electrons located at relaxed carbon atom sites. The methods we employ can be applied to many other van der Waals heterojunctions. PMID:25695638

Proximity enhanced quantum spin Hall state in graphene

DOE PAGES

Kou, Liangzhi; Hu, Feiming; Yan, Binghai; ...

2015-02-23

Graphene is the first model system of two-dimensional topological insulator (TI), also known as quantum spin Hall (QSH) insulator. The QSH effect in graphene, however, has eluded direct experimental detection because of its extremely small energy gap due to the weak spin–orbit coupling. Here we predict by ab initio calculations a giant (three orders of magnitude) proximity induced enhancement of the TI energy gap in the graphene layer that is sandwiched between thin slabs of Sb 2Te 3 (or MoTe 2). This gap (1.5 meV) is accessible by existing experimental techniques, and it can be further enhanced by tuning themore » interlayer distance via compression. We reveal by a tight-binding study that the QSH state in graphene is driven by the Kane–Mele interaction in competition with Kekulé deformation and symmetry breaking. As a result, the present work identifies a new family of graphene-based TIs with an observable and controllable bulk energy gap in the graphene layer, thus opening a new avenue for direct verification and exploration of the long-sought QSH effect in graphene.« less

Alternative Fuels Data Center: Connecting Dots and Bridging Gaps:

Science.gov Websites

, opened February 2016. The Governor's Office of Energy is also administering a five-year program to reduce redesignate the corridors within five years of the establishment of the corridors, and every five years

Higgs amplitude mode in the BCS superconductors Nb1-xTi(x)N induced by terahertz pulse excitation.

PubMed

Matsunaga, Ryusuke; Hamada, Yuki I; Makise, Kazumasa; Uzawa, Yoshinori; Terai, Hirotaka; Wang, Zhen; Shimano, Ryo

2013-08-02

Ultrafast responses of BCS superconductor Nb(1-x)Ti(x)N films in a nonadiabatic excitation regime were investigated by using terahertz (THz) pump-THz probe spectroscopy. After an instantaneous excitation with the monocycle THz pump pulse, a transient oscillation emerges in the electromagnetic response in the BCS gap energy region. The oscillation frequency coincides with the asymptotic value of the BCS gap energy, indicating the appearance of the theoretically anticipated collective amplitude mode of the order parameter, namely the Higgs amplitude mode. Our result opens a new pathway to the ultrafast manipulation of the superconducting order parameter by optical means.

Hubbard physics in the PAW GW approximation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Booth, J. M., E-mail: jamie.booth@rmit.edu.au; Smith, J. S.; Russo, S. P.

It is demonstrated that the signatures of the Hubbard Model in the strongly interacting regime can be simulated by modifying the screening in the limit of zero wavevector in Projector-Augmented Wave GW calculations for systems without significant nesting. This modification, when applied to the Mott insulator CuO, results in the opening of the Mott gap by the splitting of states at the Fermi level into upper and lower Hubbard bands, and exhibits a giant transfer of spectral weight upon electron doping. The method is also employed to clearly illustrate that the M{sub 1} and M{sub 2} forms of vanadium dioxidemore » are fundamentally different types of insulator. Standard GW calculations are sufficient to open a gap in M{sub 1} VO{sub 2}, which arise from the Peierls pairing filling the valence band, creating homopolar bonds. The valence band wavefunctions are stabilized with respect to the conduction band, reducing polarizability and pushing the conduction band eigenvalues to higher energy. The M{sub 2} structure, however, opens a gap from strong on-site interactions; it is a Mott insulator.« less

Relationship between the energy levels and the photovoltaic properties of oligothiophenes.

PubMed

Lim, Eunhee

2014-08-01

A series of linear π-conjugated oligothiophenes, α,α'-dihexylquinquethiophene (DH5T), 2,5-bis(5'-hexyl-2,2'-bithiophene-5-yl)thieno[3,2-b]thiophene (DH5TT), and α,α'-dihexylheptathiophene (DH7T), has been synthesized using the Suzuki coupling reaction. The optical and electrochemical properties of oligothiophenes were easily tuned by controlling the thiophene number. The UV-vis absorption and photoluminescence (PL) spectra are gradually red-shifted on going from DH5T and DH5TT to DH7T due to the increase in α-conjugation length. The energy band gap decreased as the oligothiophene length increased. The optical band gaps of DH5T, DH5TT, and DH7T occur at 2.39, 2.25, and 2.01 eV, respectively. Bulk heterojunction organic photovoltaic cells (OPVs) fabricated from oligomers showed the power conversion efficiency of 0.45-0.8% under AM 1.5 (100 mW/cm2). Among them, DH5T showed the best OPV performance of an open circuit voltage (VOC) of 0.51 V, short-circuit current (JSC) of 4.25 mA/cm2, and fill factor (FF) of 0.37, resulting in the power conversion efficiency of 0.80%. Moreover, the relationship between conjugation length and photovoltaic properties was systematically investigated in terms of the energy band gap and open circuit voltage (VOC).

Higher Order π-Conjugated Polycyclic Hydrocarbons with Open-Shell Singlet Ground State: Nonazethrene versus Nonacene.

PubMed

Huang, Rui; Phan, Hoa; Herng, Tun Seng; Hu, Pan; Zeng, Wangdong; Dong, Shao-Qiang; Das, Soumyajit; Shen, Yongjia; Ding, Jun; Casanova, David; Wu, Jishan

2016-08-17

Higher order acenes (i.e., acenes longer than pentacene) and extended zethrenes (i.e., zethrenes longer than zethrene) are theoretically predicted to have an open-shell singlet ground state, and the radical character is supposed to increase with extension of molecular size. The increasing radical character makes the synthesis of long zethrenes and acenes very challenging, and so far, the longest reported zethrene and acene derivatives are octazethrene and nonacene, respectively. In addition, there is a lack of fundamental understanding of the differences between these two closely related open-shell singlet systems. In this work, we report the first synthesis of a challenging nonazethrene derivative, HR-NZ, and its full structural and physical characterizations including variable temperature NMR, ESR, SQUID, UV-vis-NIR absorption and electrochemical measurements. Compound HR-NZ has an open-shell singlet ground state with a moderate diradical character (y0 = 0.48 based on UCAM-B3LYP calculation) and a small singlet-triplet gap (ΔES-T = -5.2 kcal/mol based on SQUID data), thus showing magnetic activity at room temperature. It also shows amphoteric redox behavior, with a small electrochemical energy gap (1.33 eV). Its electronic structure and physical properties are compared with those of Anthony's nonacene derivative JA-NA and other zethrene derivatives. A more general comparison between higher order acenes and extended zethrenes was also conducted on the basis of ab initio electronic structure calculations, and it was found that zethrenes and acenes have very different spatial localization of the unpaired electrons. As a result, a faster decrease of singlet-triplet energy gap and a faster increase of radical character with increase of the number of benzenoid rings were observed in zethrene series. Our studies reveal that spatial localization of the frontier molecular orbitals play a very important role on the nature of radical character as well as the excitation energy.

Gap Reversal at Filling Factors 3 +1 /3 and 3 +1 /5 : Towards Novel Topological Order in the Fractional Quantum Hall Regime

NASA Astrophysics Data System (ADS)

Kleinbaum, Ethan; Kumar, Ashwani; Pfeiffer, L. N.; West, K. W.; Csáthy, G. A.

2015-02-01

In the region of the second Landau level several theories predict fractional quantum Hall states with novel topological order. We report the opening of an energy gap at the filling factor ν =3 +1 /3 , firmly establishing the ground state as a fractional quantum Hall state. This and other odd-denominator states unexpectedly break particle-hole symmetry. Specifically, we find that the relative magnitudes of the energy gaps of the ν =3 +1 /3 and 3 +1 /5 states from the upper spin branch are reversed when compared to the ν =2 +1 /3 and 2 +1 /5 counterpart states in the lower spin branch. Our findings raise the possibility that at least one of the former states is of an unusual topological order.

Edge currents shunt the insulating bulk in gapped graphene

NASA Astrophysics Data System (ADS)

Zhu, M. J.; Kretinin, A. V.; Thompson, M. D.; Bandurin, D. A.; Hu, S.; Yu, G. L.; Birkbeck, J.; Mishchenko, A.; Vera-Marun, I. J.; Watanabe, K.; Taniguchi, T.; Polini, M.; Prance, J. R.; Novoselov, K. S.; Geim, A. K.; Ben Shalom, M.

2017-02-01

An energy gap can be opened in the spectrum of graphene reaching values as large as 0.2 eV in the case of bilayers. However, such gaps rarely lead to the highly insulating state expected at low temperatures. This long-standing puzzle is usually explained by charge inhomogeneity. Here we revisit the issue by investigating proximity-induced superconductivity in gapped graphene and comparing normal-state measurements in the Hall bar and Corbino geometries. We find that the supercurrent at the charge neutrality point in gapped graphene propagates along narrow channels near the edges. This observation is corroborated by using the edgeless Corbino geometry in which case resistivity at the neutrality point increases exponentially with increasing the gap, as expected for an ordinary semiconductor. In contrast, resistivity in the Hall bar geometry saturates to values of about a few resistance quanta. We attribute the metallic-like edge conductance to a nontrivial topology of gapped Dirac spectra.

Tuning the energy gap of bilayer α-graphyne by applying strain and electric field

NASA Astrophysics Data System (ADS)

Yang, Hang; Wu, Wen-Zhi; Jin, Yu; Wan-Lin, Guo

2016-02-01

Our density functional theory calculations show that the energy gap of bilayer α-graphyne can be modulated by a vertically applied electric field and interlayer strain. Like bilayer graphene, the bilayer α-graphyne has electronic properties that are hardly changed under purely mechanical strain, while an external electric field can open the gap up to 120 meV. It is of special interest that compressive strain can further enlarge the field induced gap up to 160 meV, while tensile strain reduces the gap. We attribute the gap variation to the novel interlayer charge redistribution between bilayer α-graphynes. These findings shed light on the modulation of Dirac cone structures and potential applications of graphyne in mechanical-electric devices. Project supported by the National Key Basic Research Program of China (Grant Nos. 2013CB932604 and 2012CB933403), the National Natural Science Foundation of China (Grant Nos. 51472117 and 51535005), the Research Fund of State Key Laboratory of Mechanics and Control of Mechanical Structures, China (Grant No. 0414K01), the Nanjing University of Aeronautics and Astronautics (NUAA) Fundamental Research Funds, China (Grant No. NP2015203), and the Priority Academic Program Development of Jiangsu Higher Education Institutions.

Evaporation rate of water in hydrophobic confinement.

PubMed

Sharma, Sumit; Debenedetti, Pablo G

2012-03-20

The drying of hydrophobic cavities is believed to play an important role in biophysical phenomena such as the folding of globular proteins, the opening and closing of ligand-gated ion channels, and ligand binding to hydrophobic pockets. We use forward flux sampling, a molecular simulation technique, to compute the rate of capillary evaporation of water confined between two hydrophobic surfaces separated by nanoscopic gaps, as a function of gap, surface size, and temperature. Over the range of conditions investigated (gaps between 9 and 14 Å and surface areas between 1 and 9 nm(2)), the free energy barrier to evaporation scales linearly with the gap between hydrophobic surfaces, suggesting that line tension makes the predominant contribution to the free energy barrier. The exponential dependence of the evaporation rate on the gap between confining surfaces causes a 10 order-of-magnitude decrease in the rate when the gap increases from 9 to 14 Å. The computed free energy barriers are of the order of 50 kT and are predominantly enthalpic. Evaporation rates per unit area are found to be two orders of magnitude faster in confinement by the larger (9 nm(2)) than by the smaller (1 nm(2)) surfaces considered here, at otherwise identical conditions. We show that this rate enhancement is a consequence of the dependence of hydrophobic hydration on the size of solvated objects. For sufficiently large surfaces, the critical nucleus for the evaporation process is a gap-spanning vapor tube.

Energy gap states and tunneling currents in semiconducting graphene

NASA Astrophysics Data System (ADS)

Szczesniak, Dominik; Hoehn, Ross; Kais, Sabre

It has been predicted that when graphene is supported on a substrate or doped with foreign atom species, the inherent linear electronic dispersion of its pristine form can be strongly altered. Worthy of special attention is the situation when the interactions between graphene and the substrate or dopants lead to an opening of the finite electronic gap in the fermionic spectrum of this nano-material, and strongly influence its transport and optical properties. Herein, the fundamental electronic transport properties of such perturbed graphene are discussed in the framework of the complex band structure analysis, which not only accounts for the propagating but also the evanescent electronic states. Various scenarios responsible for the band gap opening and manipulation of its characteristics are considered, these considerations may entirely account for the aforementioned perturbations to the pristine graphene. It is shown, that the these perturbations are responsible for inducing gap states which allow electrons to directly tunnel between the conduction and valence bands in perturbed graphene. The resulting tunneling states are analyzed in a comprehensive manner, suggesting their great importance for the transport processes across graphene-based semiconducting nanostructures.

Modification of electronic properties of graphene by using low-energy K{sup +} ions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, Jingul; Lee, Paengro; Ryu, Mintae

2016-05-02

Despite its superb electronic properties, the semi-metallic nature of graphene with no band gap (E{sub g}) at the Dirac point has been a stumbling block for its industrial application. We report an improved means of producing a tunable band gap over other schemes by doping low energy (10 eV) potassium ions (K{sup +}) on single layer graphene formed on 6H-SiC(0001) surface, where the noble Dirac nature of the π-band remains almost unaltered. The changes in the π-band induced by K{sup +} ions reveal that the band gap increases gradually with increasing dose (θ) of the ions up to E{sub g} = 0.65 eV atmore » θ = 1.10 monolayers, demonstrating the tunable character of the band gap. Our core level data for C 1s, Si 2p, and K 2p suggest that the K{sup +}-induced asymmetry in charge distribution among carbon atoms drives the opening of band gap, which is in sharp contrast with no band gap when neutral K atoms are adsorbed on graphene. This tunable K{sup +}-induced band gap in graphene illustrates its potential application in graphene-based nano-electronics.« less

Edge currents in frustrated Josephson junction ladders

NASA Astrophysics Data System (ADS)

Marques, A. M.; Santos, F. D. R.; Dias, R. G.

2016-09-01

We present a numerical study of quasi-1D frustrated Josephson junction ladders with diagonal couplings and open boundary conditions, in the large capacitance limit. We derive a correspondence between the energy of this Josephson junction ladder and the expectation value of the Hamiltonian of an analogous tight-binding model, and show how the overall superconducting state of the chain is equivalent to the minimum energy state of the tight-binding model in the subspace of one-particle states with uniform density. To satisfy the constraint of uniform density, the superconducting state of the ladder is written as a linear combination of the allowed k-states of the tight-binding model with open boundaries. Above a critical value of the parameter t (ratio between the intra-rung and inter-rung Josephson couplings) the ladder spontaneously develops currents at the edges, which spread to the bulk as t is increased until complete coverage is reached. Above a certain value of t, which varies with ladder size (t = 1 for an infinite-sized ladder), the edge currents are destroyed. The value t = 1 corresponds, in the tight-binding model, to the opening of a gap between two bands. We argue that the disappearance of the edge currents with this gap opening is not coincidental, and that this points to a topological origin for these edge current states.

What is the Mass of a Gap-opening Planet?

NASA Astrophysics Data System (ADS)

Dong, Ruobing; Fung, Jeffrey

2017-02-01

High-contrast imaging instruments such as GPI and SPHERE are discovering gap structures in protoplanetary disks at an ever faster pace. Some of these gaps may be opened by planets forming in the disks. In order to constrain planet formation models using disk observations, it is crucial to find a robust way to quantitatively back out the properties of the gap-opening planets, in particular their masses, from the observed gap properties, such as their depths and widths. Combining 2D and 3D hydrodynamics simulations with 3D radiative transfer simulations, we investigate the morphology of planet-opened gaps in near-infrared scattered-light images. Quantitatively, we obtain correlations that directly link intrinsic gap depths and widths in the gas surface density to observed depths and widths in images of disks at modest inclinations under finite angular resolution. Subsequently, the properties of the surface density gaps enable us to derive the disk scale height at the location of the gap h, and to constrain the quantity Mp2/α, where Mp is the mass of the gap-opening planet and α characterizes the viscosity in the gap. As examples, we examine the gaps recently imaged by VLT/SPHERE, Gemini/GPI, and Subaru/HiCIAO in HD 97048, TW Hya, HD 169142, LkCa 15, and RX J1615.3-3255. Scale heights of the disks and possible masses of the gap-opening planets are derived assuming each gap is opened by a single planet. Assuming α = 10‑3, the derived planet masses in all cases are roughly between 0.1 and 1 MJ.

Electronic Structures, Bonding Configurations, and Band-Gap-Opening Properties of Graphene Binding with Low-Concentration Fluorine

DOE PAGES

Duan, Yuhua; Stinespring, Charter D.; Chorpening, Benjamin

2015-06-18

To better understand the effects of low-level fluorine in graphene-based sensors, first-principles density functional theory (DFT) with van der Waals dispersion interactions has been employed to investigate the structure and impact of fluorine defects on the electrical properties of single-layer graphene films. The results show that both graphite-2H and graphene have zero band gaps. When fluorine bonds to a carbon atom, the carbon atom is pulled slightly above the graphene plane, creating what is referred to as a CF defect. The lowest-binding energy state is found to correspond to two CF defects on nearest neighbor sites, with one fluorine abovemore » the carbon plane and the other below the plane. Overall this has the effect of buckling the graphene. The results further show that the addition of fluorine to graphene leads to the formation of an energy band (BF) near the Fermi level, contributed mainly from the 2p orbitals of fluorine with a small contribution from the porbitals of the carbon. Among the 11 binding configurations studied, our results show that only in two cases does the BF serve as a conduction band and open a band gap of 0.37 eV and 0.24 eV respectively. The binding energy decreases with decreasing fluorine concentration due to the interaction between neighboring fluorine atoms. The obtained results are useful for sensor development and nanoelectronics.« less

Spin-polarized electron emitter: Mn-doped GaN nanotubes and their arrays

NASA Astrophysics Data System (ADS)

Hao, Shaogang; Zhou, Gang; Wu, Jian; Duan, Wenhui; Gu, Bing-Lin

2004-03-01

The influences from the doping magnetic atom, Mn, on the geometry, electronic properties, and spin-polarization characteristics are demonstrated for open armchair gallium nitrogen (GaN) nanotubes and arrays by use of the first-principles calculations. The interaction between dangling bonds of Ga (Mn) and N atoms at the open-end promotes the self-close of the tube mouth and formation of a more stable open semicone top. Primarily owing to hybridization of Mn 3d and N 2p orbitals, one Mn atom introduces several impurity energy levels into the original energy gap, and the calculated magnetic moment is 4μB. The electron spin polarizations in the field emission are theoretically evaluated. We suggest that armchair open GaN nanotube arrays doped with a finite number of magnetic atoms may have application potential as the electron source of spintronic devices in the future.

Spin asymmetric band gap opening in graphene by Fe adsorption

NASA Astrophysics Data System (ADS)

del Castillo, E.; Cargnoni, F.; Achilli, S.; Tantardini, G. F.; Trioni, M. I.

2015-04-01

The adsorption of Fe atom on graphene is studied by first-principles Density Functional Theory. The structural, electronic, and magnetic properties are analyzed at different coverages, all preserving C6v symmetry for the Fe adatom. We observed that binding energies, magnetic moments, and adsorption distances rapidly converge as the size of the supercell increases. Among the considered supercells, those constituted by 3n graphene unit cells show a very peculiar behavior: the adsorption of a Fe atom induces the opening of a spin-dependent gap in the band structure. In particular, the gap amounts to tenths of eV in the majority spin component, while in the minority one it has a width of about 1 eV for the 3 × 3 supercell and remains significant even at very low coverages (0.25 eV for θ ≃ 2%). The charge redistribution upon Fe adsorption has also been analyzed according to state of the art formalisms indicating an appreciable charge transfer from Fe to the graphene layer.

What is the Mass of a Gap-opening Planet?

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dong, Ruobing; Fung, Jeffrey, E-mail: rdong@email.arizona.edu

High-contrast imaging instruments such as GPI and SPHERE are discovering gap structures in protoplanetary disks at an ever faster pace. Some of these gaps may be opened by planets forming in the disks. In order to constrain planet formation models using disk observations, it is crucial to find a robust way to quantitatively back out the properties of the gap-opening planets, in particular their masses, from the observed gap properties, such as their depths and widths. Combining 2D and 3D hydrodynamics simulations with 3D radiative transfer simulations, we investigate the morphology of planet-opened gaps in near-infrared scattered-light images. Quantitatively, wemore » obtain correlations that directly link intrinsic gap depths and widths in the gas surface density to observed depths and widths in images of disks at modest inclinations under finite angular resolution. Subsequently, the properties of the surface density gaps enable us to derive the disk scale height at the location of the gap h , and to constrain the quantity M {sub p}{sup 2}/ α , where M {sub p} is the mass of the gap-opening planet and α characterizes the viscosity in the gap. As examples, we examine the gaps recently imaged by VLT/SPHERE, Gemini/GPI, and Subaru/HiCIAO in HD 97048, TW Hya, HD 169142, LkCa 15, and RX J1615.3-3255. Scale heights of the disks and possible masses of the gap-opening planets are derived assuming each gap is opened by a single planet. Assuming α = 10{sup −3}, the derived planet masses in all cases are roughly between 0.1 and 1 M {sub J}.« less

Persistence of the gapless spin liquid in the breathing kagome Heisenberg antiferromagnet

NASA Astrophysics Data System (ADS)

Iqbal, Yasir; Poilblanc, Didier; Thomale, Ronny; Becca, Federico

2018-03-01

The nature of the ground state of the spin S =1 /2 Heisenberg antiferromagnet on the kagome lattice with breathing anisotropy (i.e., with different superexchange couplings J▵ and J▿ within elementary up- and down-pointing triangles) is investigated within the framework of Gutzwiller projected fermionic wave functions and Monte Carlo methods. We analyze the stability of the U(1 ) Dirac spin liquid with respect to the presence of fermionic pairing that leads to a gapped Z2 spin liquid. For several values of the ratio J▿/J▵ , the size scaling of the energy gain due to the pairing fields and the variational parameters are reported. Our results show that the energy gain of the gapped spin liquid with respect to the gapless state either vanishes for large enough system size or scales to zero in the thermodynamic limit. Similarly, the optimized pairing amplitudes (responsible for opening the spin gap) are shown to vanish in the thermodynamic limit. Our outcome is corroborated by the application of one and two Lanczos steps to the gapless and gapped wave functions, for which no energy gain of the gapped state is detected when improving the quality of the variational states. Finally, we discuss the competition with the "simplex" Z2 resonating-valence-bond spin liquid, valence-bond crystal, and nematic states in the strongly anisotropic regime, i.e., J▿≪J▵ .

The optical gap in VO2 insulating phases is dominated by Coulomb repulsion

NASA Astrophysics Data System (ADS)

Hendriks, Christopher; Walter, Eric; Krakauer, Henry; Huffman, Tyler; Qazilbash, Mumtaz

Under doping, tensile strain or heating, vanadium dioxide (VO2) transforms from an insulating monoclinic (M1) to a metallic rutile (R) phase, progressing through intermediate insulating triclinic (T) and magnetic (M2) phases. Broadband optical spectroscopy data have been obtained on the T and M2 phases in the same sample. While only half the V atoms are dimerized in M2 compared to M1 and T, the measured optical gap is essentially unaltered by the first-order structural phase transition between them. Moreover, the optical interband features in the T and M2 phases are remarkably similar to those previously observed in the well-studied M1 phase. This shows that the electronic structure is insensitive to the lattice structure. Our ab-initio HSE optical conductivity calculations on the insulating phases of VO2 are in excellent agreement with the experimental measurements. We will discuss the choice of α, the fraction of exact exchange. As the energy gap is insensitive to the different lattice structures of the three insulating phases, we rule out Peierls effects as the dominant contributor to the opening of the gap. Rather, the energy gap arises from intra-atomic Coulomb correlations. Supported by ONR.

Pulsar Emission Geometry and Accelerating Field Strength

NASA Technical Reports Server (NTRS)

DeCesar, Megan E.; Harding, Alice K.; Miller, M. Coleman; Kalapotharakos, Constantinos; Parent, Damien

2012-01-01

The high-quality Fermi LAT observations of gamma-ray pulsars have opened a new window to understanding the generation mechanisms of high-energy emission from these systems, The high statistics allow for careful modeling of the light curve features as well as for phase resolved spectral modeling. We modeled the LAT light curves of the Vela and CTA I pulsars with simulated high-energy light curves generated from geometrical representations of the outer gap and slot gap emission models. within the vacuum retarded dipole and force-free fields. A Markov Chain Monte Carlo maximum likelihood method was used to explore the phase space of the magnetic inclination angle, viewing angle. maximum emission radius, and gap width. We also used the measured spectral cutoff energies to estimate the accelerating parallel electric field dependence on radius. under the assumptions that the high-energy emission is dominated by curvature radiation and the geometry (radius of emission and minimum radius of curvature of the magnetic field lines) is determined by the best fitting light curves for each model. We find that light curves from the vacuum field more closely match the observed light curves and multiwavelength constraints, and that the calculated parallel electric field can place additional constraints on the emission geometry

Electronic and thermal properties of germanene and stanene by first-principles calculations

NASA Astrophysics Data System (ADS)

Jomehpour Zaveh, S.; Roknabadi, M. R.; Morshedloo, T.; Modarresi, M.

2016-03-01

The electronic, vibrational and thermal properties of germanene and stanene have been investigated based on density functional theory (DFT) and density functional perturbation theory (DFPT). The electronic band structure, total and partial density of states and phonon dispersion spectrum and states are analyzed. The phonon spectrum is positive for all modes in the first Brillouin zone and there is a phonon energy band gap between acoustic and optical modes which is around 50 cm-1 for both structure. The constant-volume specific heats of two structures are calculated by using phonon spectrum and density of states. The spin-orbit coupling (SOC) opens a direct energy band gap at the Dirac point, softens phonon spectrum and decreases phonon group velocity of ZA mode.

Effects of edge magnetism on the Kohn anomalies of zigzag graphene nanoribbons.

PubMed

Culchac, F J; Capaz, Rodrigo B

2016-02-12

The effects of edge magnetism on the Kohn anomaly (KA) of the G-band phonons of zigzag graphene nanoribbons (ZGNRs) are studied using a combination of the tight-binding and mean-field Hubbard models. We show that the opening of an energy gap, induced by magnetic ordering, significantly changes the KA effects, particularly for narrow ribbons in which the gap is larger than the phonon energy. Therefore, the G-band phonon frequency and lifetime are altered for a magnetically-ordered edge state with respect to an unpolarized edge state. The effects of temperature, ZGNR width, doping and transverse electric fields are systematically investigated. We propose using this effect to probe the magnetic order of edge states in graphene nanoribbons using Raman spectroscopy.

Nuclear power grows in China`s energy mix

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Xavier

1996-07-01

China`s rapid economic growth in the past two decades has caused the nations`s demand for electricity to exceed its capacity. AS of 1992, with power shortages as high as 25 percent, {open_quotes}power plant operators were often forced to resort to rolling brownouts to avoid complete system breakdowns,{close_quotes} says Xavier Chen, an assistant professor with the Asian Institute of Technology`s Energy Program in Bangkok, Thailand. To keep pace with China`s economic development, Chen estimates that {open_quotes}China must increase its electricity capacity 6 to 8 percent a year each year into the foreseeable future.{close_quotes} For now, coal is transported to power plantsmore » in the rapidly developing eastern coastal provinces at great expense. Chen also notes that the environmental disadvantages of coal make it a less desirable source of energy than nuclear. Development of nuclear energy is likely to go forward for another reason: In China, there is much less opposition to nuclear power plants than in other developing nations. {open_quotes}Nuclear energy likely will plan an important role in China`s future energy mix and help close the gap between electricity production and demand,{close_quotes} Chen says.« less

Intrinsic Energy Localization Through Discrete Gap Breathers in One-Dimensional Diatomic Granular Crystals

DTIC Science & Technology

2010-05-01

dark discrete breathers or large-amplitude ILMs remains an interesting open question for future investigation. III. MONOATOMIC GRANULAR CHAIN WITH AN...MacKay and S. Aubry, Nonlinearity 7, 1623 1994. 9 Y. S. Kivshar and G. P. Agrawal, Optical Solitons : From Fi- bers to Photonic Crystals Academic

Electronic properties of B and Al doped graphane: A hybrid density functional study

NASA Astrophysics Data System (ADS)

Mapasha, R. E.; Igumbor, E.; Andriambelaza, N. F.; Chetty, N.

2018-04-01

Using a hybrid density functional theory approach parametrized by Heyd, Scuseria and Ernzerhof (HSE06 hybrid functional), we study the energetics, structural and electronic properties of a graphane monolayer substitutionally doped with the B (BCH) and Al (AlCH) atoms. The BCH defect can be integrated within a graphane monolayer at a relative low formation energy, without major structural distortions and symmetry breaking. The AlCH defect relaxes outward of the monolayer and breaks the symmetry. The density of states plots indicate that BCH doped graphane monolayer is a wide band gap semiconductor, whereas the AlCH defect introduces the spin dependent mid gap states at the vicinity of the Fermi level, revealing a metallic character with the pronounced magnetic features. We further examine the response of the Al dependent spin states on the multiple charge states doping. We find that the defect formation energy, structural and electronic properties can be altered via charge state modulation. The +1 charge doping opens an energy band gap of 1.75 eV. This value corresponds to the wavelength in the visible spectrum, suggesting an ideal material for solar cell absorbers. Our study fine tunes the graphane band gap through the foreign atom doping as well as via defect charge state modulation.

Building Energy Management Open Source Software

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rahman, Saifur

Funded by the U.S. Department of Energy in November 2013, a Building Energy Management Open Source Software (BEMOSS) platform was engineered to improve sensing and control of equipment in small- and medium-sized commercial buildings. According to the Energy Information Administration (EIA), small- (5,000 square feet or smaller) and medium-sized (between 5,001 to 50,000 square feet) commercial buildings constitute about 95% of all commercial buildings in the U.S. These buildings typically do not have Building Automation Systems (BAS) to monitor and control building operation. While commercial BAS solutions exist, including those from Siemens, Honeywell, Johnsons Controls and many more, they aremore » not cost effective in the context of small- and medium-sized commercial buildings, and typically work with specific controller products from the same company. BEMOSS targets small and medium-sized commercial buildings to address this gap.« less

First principles analysis of the CDW instability of single-layer 1T-TiSe2 and its evolution with charge carrier density

NASA Astrophysics Data System (ADS)

Guster, Bogdan; Canadell, Enric; Pruneda, Miguel; Ordejón, Pablo

2018-04-01

We present a density functional theory study of the electronic structure of single-layer TiSe2, and focus on the charge density wave (CDW) instability present on this 2D material. We explain the 2× 2 periodicity of the CDW from the phonon band structure of the undistorted crystal, which is unstable under one of the phonon modes at the M point. This can be understood in terms of a partial band gap opening at the Fermi level, which we describe on the basis of the symmetry of the involved crystal orbitals, leading to an energy gain upon the displacement of the atoms following the phonon mode in a 2  ×  1 structure. Furthermore, the combination of the corresponding phonons for the three inequivalent M points of the Brillouin zone leads to the 2  ×  2 distortion characteristic of the CDW state. This leads to a further opening of a full gap, which reduces the energy of the 2  ×  2 structure compared to the 2  ×  1 one of a single M point phonon, and makes the CDW structure the most stable one. We also analyze the effect of charge injection into the layer on the structural instability. We predict that the 2  ×  2 structure only survives for a certain range of doping levels, both for electrons and for holes, as doping reduces the energy gain due to the gap opening. We predict the transition from the commensurate 2  ×  2 distortion to an incommensurate one with increasing wavelength upon increasing the doping level, followed by the appearance of the undistorted 1  ×  1 structure for larger carrier concentrations.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhu Zhaohuan; Stone, James M.; Rafikov, Roman R., E-mail: zhzhu@astro.princeton.edu, E-mail: jstone@astro.princeton.edu, E-mail: rrr@astro.princeton.edu

Some regions in protoplanetary disks are turbulent, while some regions are quiescent (e.g. the dead zone). In order to study how planets open gaps in both inviscid hydrodynamic disk (e.g. the dead zone) and the disk subject to magnetorotational instability (MRI), we carried out both shearing box two-dimensional inviscid hydrodynamical simulations and three-dimensional unstratified magnetohydrodynamical (MHD) simulations (having net vertical magnetic fields) with a planet at the box center. We found that, due to the nonlinear wave steepening, even a low mass planet can open gaps in both cases, in contradiction to the ''thermal criterion'' for gap opening. In ordermore » to understand if we can represent the MRI turbulent stress with the viscous {alpha} prescription for studying gap opening, we compare gap properties in MRI-turbulent disks to those in viscous HD disks having the same stress, and found that the same mass planet opens a significantly deeper and wider gap in net vertical flux MHD disks than in viscous HD disks. This difference arises due to the efficient magnetic field transport into the gap region in MRI disks, leading to a larger effective {alpha} within the gap. Thus, across the gap, the Maxwell stress profile is smoother than the gap density profile, and a deeper gap is needed for the Maxwell stress gradient to balance the planetary torque density. Comparison with previous results from net toroidal flux/zero flux MHD simulations indicates that the magnetic field geometry plays an important role in the gap opening process. We also found that long-lived density features (termed zonal flows) produced by the MRI can affect planet migration. Overall, our results suggest that gaps can be commonly produced by low mass planets in realistic protoplanetary disks, and caution the use of a constant {alpha}-viscosity to model gaps in protoplanetary disks.« less

Some Fundamental Issues in Ground-State Density Functional Theory: A Guide for the Perplexed.

PubMed

Perdew, John P; Ruzsinszky, Adrienn; Constantin, Lucian A; Sun, Jianwei; Csonka, Gábor I

2009-04-14

Some fundamental issues in ground-state density functional theory are discussed without equations: (1) The standard Hohenberg-Kohn and Kohn-Sham theorems were proven for a Hamiltonian that is not quite exact for real atoms, molecules, and solids. (2) The density functional for the exchange-correlation energy, which must be approximated, arises from the tendency of electrons to avoid one another as they move through the electron density. (3) In the absence of a magnetic field, either spin densities or total electron density can be used, although the former choice is better for approximations. (4) "Spin contamination" of the determinant of Kohn-Sham orbitals for an open-shell system is not wrong but right. (5) Only to the extent that symmetries of the interacting wave function are reflected in the spin densities should those symmetries be respected by the Kohn-Sham noninteracting or determinantal wave function. Functionals below the highest level of approximations should however sometimes break even those symmetries, for good physical reasons. (6) Simple and commonly used semilocal (lower-level) approximations for the exchange-correlation energy as a functional of the density can be accurate for closed systems near equilibrium and yet fail for open systems of fluctuating electron number. (7) The exact Kohn-Sham noninteracting state need not be a single determinant, but common approximations can fail when it is not. (8) Over an open system of fluctuating electron number, connected to another such system by stretched bonds, semilocal approximations make the exchange-correlation energy and hole-density sum rule too negative. (9) The gap in the exact Kohn-Sham band structure of a crystal underestimates the real fundamental gap but may approximate the first exciton energy in the large-gap limit. (10) Density functional theory is not really a mean-field theory, although it looks like one. The exact functional includes strong correlation, and semilocal approximations often overestimate the strength of static correlation through their semilocal exchange contributions. (11) Only under rare conditions can excited states arise directly from a ground-state theory.

Electron scattering, charge order, and pseudogap physics in La 1.6–xNd 0.4Sr xCuO 4: An angle-resolved photoemission spectroscopy study

DOE PAGES

Matt, C. E.; Fatuzzo, C. G.; Sassa, Y.; ...

2015-10-27

We report an angle-resolved photoemission study of the charge stripe ordered La 1.6–xNd 0.4Sr xCuO 4 (Nd-LSCO) system. A comparative and quantitative line-shape analysis is presented as the system evolves from the overdoped regime into the charge ordered phase. On the overdoped side (x = 0.20), a normal-state antinodal spectral gap opens upon cooling below 80 K. In this process, spectral weight is preserved but redistributed to larger energies. A correlation between this spectral gap and electron scattering is found. A different line shape is observed in the antinodal region of charge ordered Nd-LSCO x = 1/8. Significant low-energy spectralmore » weight appears to be lost. As a result, these observations are discussed in terms of spectral-weight redistribution and gapping originating from charge stripe ordering.« less

Superconductivity of lanthanum revisited

NASA Astrophysics Data System (ADS)

Loeptien, Peter; Zhou, Lihui; Wiebe, Jens; Khajetoorians, Alexander Ako; Wiesendanger, Roland

2014-03-01

The thickness dependence of the superconductivity in clean hexagonal lanthanum films grown on tungsten (110) is studied by means of scanning tunneling microscopy (STM) and spectroscopy (STS). Fitting of the measured spectra to BCS theory yields the superconducting energy gaps from which the critical temperatures are determined. For the case of thick, bulk-like films, the bulk energy gap and critical temperature of dhcp lanthanum turn out to be considerably higher as compared to values from the literature measured by other techniques. In thin films the superconductivity is quenched by the boundary condition for the superconducting wavefunction imposed by the substrate and surface, leading to a linear decrease of the superconducting transition temperature as a function of the inverse film thickness. This opens up the possibility to grow lanthanum films with defined superconducting properties.

Multistate metadynamics for automatic exploration of conical intersections

NASA Astrophysics Data System (ADS)

Lindner, Joachim O.; Röhr, Merle I. S.; Mitrić, Roland

2018-05-01

We introduce multistate metadynamics for automatic exploration of conical intersection seams between adiabatic Born-Oppenheimer potential energy surfaces in molecular systems. By choosing the energy gap between the electronic states as a collective variable the metadynamics drives the system from an arbitrary ground-state configuration toward the intersection seam. Upon reaching the seam, the multistate electronic Hamiltonian is extended by introducing biasing potentials into the off-diagonal elements, and the molecular dynamics is continued on a modified potential energy surface obtained by diagonalization of the latter. The off-diagonal bias serves to locally open the energy gap and push the system to the next intersection point. In this way, the conical intersection energy landscape can be explored, identifying minimum energy crossing points and the barriers separating them. We illustrate the method on the example of furan, a prototype organic molecule exhibiting rich photophysics. The multistate metadynamics reveals plateaus on the conical intersection energy landscape from which the minimum energy crossing points with characteristic geometries can be extracted. The method can be combined with the broad spectrum of electronic structure methods and represents a generally applicable tool for the exploration of photophysics and photochemistry in complex molecules and materials.

A Low-Energy-Gap Thienochrysenocarbazole Dye for Highly Efficient Mesoscopic Titania Solar Cells: Understanding the Excited State and Charge Carrier Dynamics.

PubMed

Wang, Junting; Xie, Xinrui; Weng, Guorong; Yuan, Yi; Zhang, Jing; Wang, Peng

2018-05-09

Maintaining both a high external quantum efficiency and a large open-circuit photovoltage of dye-sensitized solar cells (DSSCs) is a crucial challenge in the process of developing narrow-energy-gap dyes for the capture of infrared solar photons. Herein, we report two donor-acceptor organic dyes, C294 and C295, with a polycyclic heteroaromatic unit, 6,11-dihydrothieno[3',2':8,9]chryseno[10,11,12,1-bcdefg]carbazole (TCC), as the central module of the electron donor, and ethylbenzothiadiazole-benzioc acid as the electron acceptor. The interfacial charge recombination was successfully mitigated by introducing an additional branched aliphatic chain in C295. Furthermore, the O⋅⋅⋅S nonbonding interaction between the oxygen atom of the alkoxy group and the sulfur atom of the thiophene in C295 controlled the conformation of C295, resulting in a narrow energy-gap. Time-resolved spectroscopic measurements on C294 and the model dye C272 indicated that the elevation of the HOMO energy level decreased the kinetics and yield of hole injection owing to a reduction in the driving force and that the shortened excited-state lifetime caused by the narrowing of the energy gap was unfavorable for electron injection. By fine tuning the composition of the electrolyte, C294 and C295 eventually achieved high power conversion efficiencies of 11.5 % and 12.4 %, respectively, under full sunlight of air mass 1.5 global conditions. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

[Effects of forest gap size and within-gap position on the microclimate in Pinus koraiensis-dominated broadleaved mixed forest].

PubMed

Feng, Jing; Duan, Wen-Biao; Chen, Li-Xin

2012-07-01

HOBO automatic weather stations were installed in the central parts and at the south, north, east, and west edges of large, medium, and small gaps in a Pinus koraiensis-dominated broadleaved mixed forest in Xiaoxing' anling Mountains to measure the air temperature, relative humidity, and photosynthetic photon flux density (PPFD) in these locations and the total radiation and precipitation in the gap centres from June to September 2010, taking the closed forest stand and open field as the controls. The differences in the microclimate between various size forest gaps and between the gap centers and their edges as well as the variations of the microclimatic factors over time were analyzed, and the effects of sunny and overcast days on the diurnal variations of the microclimatic factors within forest gaps were compared, aimed to offer basic data and practice reference for gap regeneration and sustainable management of Pinus koraiensis-dominated broadleaved mixed forest. The PPFD was decreased in the order of large gap, medium gap, and small gap. For the same gaps, the PPFD in gap centre was greater than that in gap edge. The mean monthly air temperature and total radiation in gap centres were declined in the sequence of July, June, August, and September, and the amplitudes of the two climatic factors were decreased in the order of open field, large gap, medium gap, small gap, and closed forest stand. The mean monthly relative humidity in gap centres dropped in the order of August, July, September, and June, and the amplitude of this climatic factor was decreased in the sequence of closed forest stand, small gap, medium gap, large gap, and open field. The total and monthly precipitations for the three different size gaps and open field during measurement period generally decreased in the order of open field, large gap, medium gap, small gap, and closed forest stand. In sunny days, the variations of PPFD, air temperature, and relative humidity were greater in large gap than in small gap, but in overcast days, it was in opposite.

Ultrafast band-gap oscillations in iron pyrite

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kolb, B; Kolpak, AM

2013-12-20

With its combination of favorable band gap, high absorption coefficient, material abundance, and low cost, iron pyrite, FeS2, has received a great deal of attention over the past decades as a promising material for photovoltaic applications such as solar cells and photoelectrochemical cells. Devices made from pyrite, however, exhibit open circuit voltages significantly lower than predicted, and despite a recent resurgence of interest in the material, there currently exists no widely accepted explanation for this disappointing behavior. In this paper, we show that phonons, which have been largely overlooked in previous efforts, may play a significant role. Using fully self-consistentmore » GW calculations, we demonstrate that a phonon mode related to the oscillation of the sulfur-sulfur bond distance in the pyrite structure is strongly coupled to the energy of the conduction-band minimum, leading to an ultrafast (approximate to 100 fs) oscillation in the band gap. Depending on the coherency of the phonons, we predict that this effect can cause changes of up to +/- 0.3 eV relative to the accepted FeS2 band gap at room temperature. Harnessing this effect via temperature or irradiation with infrared light could open up numerous possibilities for novel devices such as ultrafast switches and adaptive solar absorbers.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ono, Shota, E-mail: shota-o@gifu-u.ac.jp; Department of Physics, Graduate School of Engineering, Yokohama National University, Yokohama 240-8501; Tanikawa, Kousei

Revealing a universal relation between geometrical structures and electronic properties of capped carbon nanotubes (CNTs) is one of the current objectives in nanocarbon community. Here, we investigate the local curvature of capped CNTs and define the cap region by a crossover behavior of the curvature energy versus the number of carbon atoms integrated from the tip to the tube region. Clear correlations among the energy gap of the cap localized states, the curvature energy, the number of carbon atoms in the cap region, and the number of specific carbon clusters are observed. The present analysis opens the way to understandmore » the cap states.« less

Quantum many-body intermetallics: Phase stability of Fe3Al and small-gap formation in Fe2VAl

NASA Astrophysics Data System (ADS)

Kristanovski, Oleg; Richter, Raphael; Krivenko, Igor; Lichtenstein, Alexander I.; Lechermann, Frank

2017-01-01

Various intermetallic compounds harbor subtle electronic correlation effects. To elucidate this fact for the Fe-Al system, we perform a realistic many-body investigation based on a combination of density functional theory with dynamical mean-field theory in a charge self-consistent manner. A better characterization and understanding of the phase stability of bcc-based D 03-Fe3Al through an improved description of the correlated charge density and the magnetic energy is achieved. Upon replacement of one Fe sublattice with V, the Heusler compound Fe2VAl is realized, known to display bad-metal behavior and increased specific heat. Here we document a charge-gap opening at low temperatures in line with previous experimental work. The gap structure does not match conventional band theory and is reminiscent of (pseudo)gap characteristics in correlated oxides.

First-principles study of direct and narrow band gap semiconducting β -CuGaO 2

DOE PAGES

Nguyen, Manh Cuong; Zhao, Xin; Wang, Cai-Zhuang; ...

2015-04-16

Semiconducting oxides have attracted much attention due to their great stability in air or water and the abundance of oxygen. Recent success in synthesizing a metastable phase of CuGaO 2 with direct narrow band gap opens up new applications of semiconducting oxides as absorber layer for photovoltaics. Using first-principles density functional theory calculations, we investigate the thermodynamic and mechanical stabilities as well as the structural and electronic properties of the β-CuGaO 2 phase. Our calculations show that the β-CuGaO 2 structure is dynamically and mechanically stable. The energy band gap is confirmed to be direct at the Γ point ofmore » Brillouin zone. In conclusion, the optical absorption occurs right at the band gap edge and the density of states near the valance band maximum is large, inducing an intense absorption of light as observed in experiment.« less

Observation of Dirac-like energy band and ring-torus Fermi surface associated with the nodal line in topological insulator CaAgAs

NASA Astrophysics Data System (ADS)

Takane, Daichi; Nakayama, Kosuke; Souma, Seigo; Wada, Taichi; Okamoto, Yoshihiko; Takenaka, Koshi; Yamakawa, Youichi; Yamakage, Ai; Mitsuhashi, Taichi; Horiba, Koji; Kumigashira, Hiroshi; Takahashi, Takashi; Sato, Takafumi

2018-01-01

One of key challenges in current material research is to search for new topological materials with inverted bulk-band structure. In topological insulators, the band inversion caused by strong spin-orbit coupling leads to opening of a band gap in the entire Brillouin zone, whereas an additional crystal symmetry such as point-group and nonsymmorphic symmetries sometimes prohibits the gap opening at/on specific points or line in momentum space, giving rise to topological semimetals. Despite many theoretical predictions of topological insulators/semimetals associated with such crystal symmetries, the experimental realization is still relatively scarce. Here, using angle-resolved photoemission spectroscopy with bulk-sensitive soft-x-ray photons, we experimentally demonstrate that hexagonal pnictide CaAgAs belongs to a new family of topological insulators characterized by the inverted band structure and the mirror reflection symmetry of crystal. We have established the bulk valence-band structure in three-dimensional Brillouin zone, and observed the Dirac-like energy band and ring-torus Fermi surface associated with the line node, where bulk valence and conducting bands cross on a line in the momentum space under negligible spin-orbit coupling. Intriguingly, we found that no other bands cross the Fermi level and therefore the low-energy excitations are solely characterized by the Dirac-like band. CaAgAs provides an excellent platform to study the interplay among low-energy electron dynamics, crystal symmetry, and exotic topological properties.

Plexciton Dirac points and topological modes

DOE PAGES

Yuen-Zhou, Joel; Saikin, Semion K.; Zhu, Tony; ...

2016-06-09

Plexcitons are polaritonic modes that result from the strong coupling between excitons and plasmons. Here, we consider plexcitons emerging from the interaction of excitons in an organic molecular layer with surface plasmons in a metallic film. We predict the emergence of Dirac cones in the two-dimensional band-structure of plexcitons due to the inherent alignment of the excitonic transitions in the organic layer. An external magnetic field opens a gap between the Dirac cones if the plexciton system is interfaced with a magneto-optical layer. The resulting energy gap becomes populated with topologically protected one-way modes, which travel at the interface ofmore » this plexcitonic system. Furthermore, our theoretical proposal suggests that plexcitons are a convenient and simple platform for the exploration of exotic phases of matter and for the control of energy flow at the nanoscale.« less

First principles investigation of nitrogenated holey graphene

NASA Astrophysics Data System (ADS)

Xu, Cui-Yan; Dong, Hai-Kuan; Shi, Li-Bin

2018-04-01

The zero band gap problem limits the application of graphene in the field of electronic devices. Opening the band gap of graphene has become a research issue. Nitrogenated holey graphene (NHG) has attracted much attention because of its semiconducting properties. However, the stacking orders and defect properties have not been investigated. In this letter, the structural and stacking properties of NHG are first investigated. We obtain the most stable stacking structure. Then, the band structures for bulk and multilayer NHG are studied. Impact of the strain on the band gaps and bond characteristics is discussed. In addition, we investigate formation mechanism of native defects of carbon vacancy (VC), carbon interstitial (Ci), nitrogen vacancy (VN), and nitrogen interstitial (Ni) in bulk NHG. Formation energies and transition levels of these native defects are assessed.

Energy gap opening by crossing drop cast single-layer graphene nanoribbons.

PubMed

Yamada, Toyo Kazu; Fukuda, Hideto; Fujiwara, Taizo; Liu, Polin; Nakamura, Kohji; Kasai, Seiya; Vazquez de Parga, Amadeo L; Tanaka, Hirofumi

2018-08-03

Band gap opening of a single-layer graphene nanoribbon (sGNR) sitting on another sGNR, fabricated by drop casting GNR solution on Au(111) substrate in air, was studied by means of scanning tunneling microscopy and spectroscopy in an ultra-high vacuum at 78 K and 300 K. GNRs with a width of ∼45 nm were prepared by unzipping double-walled carbon nanotubes (diameter ∼15 nm) using the ultrasonic method. In contrast to atomically-flat GNRs fabricated via the bottom-up process, the drop cast sGNRs were buckled on Au(111), i.e., some local points of the sGNR are in contact with the substrate (d ∼ 0.5 nm), but other parts float (d ∼ 1-3 nm), where d denotes the measured distance between the sGNR and the substrate. In spite of the fact that the nanoribbons were buckled, dI/dV maps confirmed that each buckled sGNR had a metallic character (∼3.5 G o ) with considerable uniform local density of states, comparable to a flat sGNR. However, when two sGNRs crossed each other, the crossed areas showed a band gap between -50 and +200 meV around the Fermi energy, i.e., the only upper sGNR electronic property changed from metallic to p-type semiconducting, which was not due to the bending, but the electronic interactions between the up and down sGNRs.

SU-F-T-319: The Impact of Radiation Beam Obliquity and Air Gap Thickness On Optically Stimulated Luminescent in Vivo Dosimetry for Radiation Therapy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Riegel, A; Klein, E; Sea, P

Purpose: Optically-stimulated luminescent dosimeters (OSLDs) are increasingly utilized for in vivo dosimetry of complex radiation delivery techniques. Measured doses, however, underestimate planned doses for plans that utilize thermoplastic mask immobilization. The purpose of this work was to quantify the effect of beam obliquity and air gap span between the mask and backscatter material, on measured-to-planned OSLD dose agreement. Methods: A previously-used thermoplastic mask was cut, reheated, and flattened to form a 33 by 9 cm{sup 2} stage approximately 2 mm thick. Two OSLDs were placed on the stage on 5 cm of solid water, covered with 50 by 50 bymore » 5 mm{sup 3} square of bolus, and scanned in the CT simulator. Plans were created with 10 by 10 cm{sup 2} open fields using 4, 6, 10, and 15 MV photon beams at 0°, 45°, and 90° incidence. The isocenter was placed between the OSLDs at 5 mm depth. Dose was calculated and averaged for two OSLDs. Artificial air gaps of 3, 5, 10, and 20 mm were introduced in the plan and dose was recalculated for each energy/angle/gap combination. The experimental setup was replicated on a linear accelerator and air gaps were introduced by “bridging” the thermoplastic stage across solid water plastic of varying thickness. Fields were delivered as planned. OSLDs were read 12–15 hours after irradiation. Results: Measured-toplanned percent differences were constant with increasing gap thickness for 0° and 45° beam angles. At 90° and 0 cm gap, planned dose underestimated measured dose by 10–23% for all energies. This discrepancy decreased linearly to 0% with a 20 mm gap. OSLD signal did not decrease more than 6% for any gap span and energy. Conclusion: With the exception of parallel beam incidence, beam obliquity and air gap thickness did not have a substantial effect on measured-to-planned dose agreement.« less

Effect of temperature and gap opening rate on the resiliency of candidate solid rocket booster O-ring materials

NASA Technical Reports Server (NTRS)

Lach, Cynthia L.

1992-01-01

In the redesign of the Space Shuttle solid rocket motor following the Challenger accident, the field and nozzle-to-case joints were designed to minimize gap opening caused by internal motor pressurization during ignition. The O-ring seals and glands for these joints were designed both to accommodate structural deflections and to promote pressure assisted sealing. The resiliency behavior of several candidate O-ring materials was evaluated for the effects of temperature and gap opening rates. The performance of three of the elastomeric materials was tested under the specific redesign gap opening requirement. Dynamic flexure conditions unique to launch produce low frequency vibrations in the gap opening. The effect of these vibrations on the ability of the O-ring to maintain contact with the sealing surface was addressed. The resiliency of the O-ring materials was found to be extremely sensitive to variations in temperature and gap opening rate. The top three elastomeric materials tracked the simulated solid rocket booster (SRB) field joint deflection at 75 and 120 F. The external tank/SRB attach strut load vibrations had a negligible effect on the ability of the O-ring to track the simulated SRB field joint deflection.

Coulomb Oscillations in a Gate-Controlled Few-Layer Graphene Quantum Dot.

PubMed

Song, Yipu; Xiong, Haonan; Jiang, Wentao; Zhang, Hongyi; Xue, Xiao; Ma, Cheng; Ma, Yulin; Sun, Luyan; Wang, Haiyan; Duan, Luming

2016-10-12

Graphene quantum dots could be an ideal host for spin qubits and thus have been extensively investigated based on graphene nanoribbons and etched nanostructures; however, edge and substrate-induced disorders severely limit device functionality. Here, we report the confinement of quantum dots in few-layer graphene with tunable barriers, defined by local strain and electrostatic gating. Transport measurements unambiguously reveal that confinement barriers are formed by inducing a band gap via the electrostatic gating together with local strain induced constriction. Numerical simulations according to the local top-gate geometry confirm the band gap opening by a perpendicular electric field. We investigate the magnetic field dependence of the energy-level spectra in these graphene quantum dots. Experimental results reveal a complex evolution of Coulomb oscillations with the magnetic field, featuring kinks at level crossings. The simulation of energy spectrum shows that the kink features and the magnetic field dependence are consistent with experimental observations, implying the hybridized nature of energy-level spectrum of these graphene quantum dots.

Nonlinear properties of gated graphene in a strong electromagnetic field

DOE Office of Scientific and Technical Information (OSTI.GOV)

Avetisyan, A. A., E-mail: artakav@ysu.am; Djotyan, A. P., E-mail: adjotyan@ysu.am; Moulopoulos, K., E-mail: cos@ucy.ac.cy

We develop a microscopic theory of a strong electromagnetic field interaction with gated bilayer graphene. Quantum kinetic equations for density matrix are obtained using a tight binding approach within second quantized Hamiltonian in an intense laser field. We show that adiabatically changing the gate potentials with time may produce (at resonant photon energy) a full inversion of the electron population with high density between valence and conduction bands. In the linear regime, excitonic absorption of an electromagnetic radiation in a graphene monolayer with opened energy gap is also studied.

Magnetothermoelectric effects in graphene and their dependence on scatterer concentration, magnetic field, and band gap

NASA Astrophysics Data System (ADS)

Kundu, Arpan; Alrefae, Majed A.; Fisher, Timothy S.

2017-03-01

Using a semiclassical Boltzmann transport equation approach, we derive analytical expressions for electric and thermoelectric transport coefficients of graphene in the presence and absence of a magnetic field. Scattering due to acoustic phonons, charged impurities, and vacancies is considered in the model. Seebeck (Sxx) and Nernst (N) coefficients are evaluated as functions of carrier density, temperature, scatterer concentration, magnetic field, and induced band gap, and the results are compared to experimental data. Sxx is an odd function of Fermi energy, while N is an even function, as observed in experiments. The peak values of both coefficients are found to increase with the decreasing scatterer concentration and increasing temperature. Furthermore, opening a band gap decreases N but increases Sxx. Applying a magnetic field introduces an asymmetry in the variation of Sxx with Fermi energy across the Dirac point. The formalism is more accurate and computationally efficient than the conventional Green's function approach used to model transport coefficients and can be used to explore transport properties of other materials with Dirac cones such as Weyl semimetals.

Identification and characterization of ten new water gaps in seeds and fruits with physical dormancy and classification of water-gap complexes.

PubMed

Gama-Arachchige, N S; Baskin, J M; Geneve, R L; Baskin, C C

2013-07-01

Physical dormancy (PY) occurs in seeds or fruits of 18 angiosperm families and is caused by a water-impermeable palisade cell layer(s) in seed or fruit coats. Prior to germination, the seed or fruit coat of species with PY must become permeable in order to imbibe water. Breaking of PY involves formation of a small opening(s) (water gap) in a morpho-anatomically specialized area in seeds or fruits known as the water-gap complex. Twelve different water-gap regions in seven families have previously been characterized. However, the water-gap regions had not been characterized in Cucurbitaceae; clade Cladrastis of Fabaceae; subfamilies Bombacoideae, Brownlowioideae and Bythnerioideae of Malvaceae; Nelumbonaceae; subfamily Sapindoideae of Sapindaceae; Rhamnaceae; or Surianaceae. The primary aims of this study were to identify and describe the water gaps of these taxa and to classify all the known water-gap regions based on their morpho-anatomical features. Physical dormancy in 15 species was broken by exposing seeds or fruits to wet or dry heat under laboratory conditions. Water-gap regions of fruits and seeds were identified and characterized by use of microtome sectioning, light microscopy, scanning electron microscopy, dye tracking and blocking experiments. Ten new water-gap regions were identified in seven different families, and two previously hypothesized regions were confirmed. Water-gap complexes consist of (1) an opening that forms after PY is broken; (2) a specialized structure that occludes the gap; and (3) associated specialized tissues. In some species, more than one opening is involved in the initial imbibition of water. Based on morpho-anatomical features, three basic water-gap complexes (Types-I, -II and -III) were identified in species with PY in 16 families. Depending on the number of openings involved in initial imbibition, the water-gap complexes were sub-divided into simple and compound. The proposed classification system enables understanding of the relationships between the water-gap complexes of taxonomically unrelated species with PY.

Far-infrared Optical Conductivity Gap in Superconducting MgB2 Films

NASA Astrophysics Data System (ADS)

Carnahan, M. A.; Kaindl, R. A.; Chemla, D. S.; Christen, H. M.; Zhai, H. Y.; Paranthaman, M.; Lowndes, D. H.

2002-03-01

The prospect of unconventional coupling in the superconductor MgB2 motivates experiments which probe the density of states around the superconducting gap. The frequency and temperature dependent optical conductivity contains important spectroscopic information about the fundamental gap excitations as well as providing a contactless measure of the superconducting condensate. Here we present the first measurements of the far-infrared conductivity of MgB2 over a broad frequency range which spans excitations across its lowest-energy superconducting gap [1]. Thin films of MgB2 are grown on Al_2O3 substrates through e-beam evaporation and subsequent ex-situ annealing [2]. Both the real and imaginary parts of the conductivity are obtained - without recourse to Kramers-Kronig transformations - from terahertz time-domain spectroscopy. Below Tc we observe a depletion of oscillator strength due to the opening of a superconducting gap. We find a gap size of 2Δ ≈ 5 meV. This result, a value which is only half that expected in weak-coupling BCS theory, disfavors a conventional isotropic single-gap scenario. [1] R. Kaindl et al., Phys. Rev. Lett. (to appear). [2] M. Paranthaman et al., Appl. Phys. Lett. 78, 3669 (2001).

Symmetries and Boundary Conditions with a Twist

NASA Astrophysics Data System (ADS)

Zawadzki, Krissia; D'Amico, Irene; Oliveira, Luiz N.

2017-10-01

Interest in finite-size systems has risen in the last decades, due to the focus on nanotechnological applications and because they are convenient for numerical treatment that can subsequently be extrapolated to infinite lattices. Independently of the envisioned application, special attention must be given to boundary condition, which may or may not preserve the symmetry of the infinite lattice. Here, we present a detailed study of the compatibility between boundary conditions and conservation laws. The conflict between open boundary conditions and momentum conservation is well understood, but we examine other symmetries, as well: we discuss gauge invariance, inversion, spin, and particle-hole symmetry and their compatibility with open, periodic, and twisted boundary conditions. In the interest of clarity, we develop the reasoning in the framework of the one-dimensional half-filled Hubbard model, whose Hamiltonian displays a variety of symmetries. Our discussion includes analytical and numerical results. Our analytical survey shows that, as a rule, boundary conditions break one or more symmetries of the infinite-lattice Hamiltonian. The exception is twisted boundary condition with the special torsion Θ = πL/2, where L is the lattice size. Our numerical results for the ground-state energy at half-filling and the energy gap for L = 2-7 show how the breaking of symmetry affects the convergence to the L → ∞ limit. We compare the computed energies and gaps with the exact results for the infinite lattice drawn from the Bethe-Ansatz solution. The deviations are boundary-condition dependent. The special torsion yields more rapid convergence than open or periodic boundary conditions. For sizes as small as L = 7, the numerical results for twisted condition are very close to the L → ∞ limit. We also discuss the ground-state electronic density and magnetization at half filling under the three boundary conditions.

Strongly Interacting Fermi Gases In Two Dimensions

DTIC Science & Technology

2012-01-03

Correlated Quantum Fluids: From Ultracold Quantum Gases to QCD Plasmas. Figure 2 Spin Transport in Spin-Imbalanced, strongly interacting...atoms becomes confined to a stack of two-dimensional layers formed by a one-dimensional optical lattice . Decreasing the dimensionality leads to the...opening of a gap in radiofrequency spectra, even on the BCS-side of a Feshbach resonance. With increasing lattice depth, the measured binding energy

Response of a boreal forest to canopy opening: assessing vertical and lateral tree growth with multi-temporal lidar data.

PubMed

Vepakomma, Udayalakshmi; St-Onge, Benoit; Kneeshaw, Daniel

2011-01-01

Fine-scale height-growth response of boreal trees to canopy openings is difficult to measure from the ground, and there are important limitations in using stereophotogrammetry in defining gaps and determining individual crowns and height. However, precise knowledge on height growth response to different openings is critical for refining partial harvesting techniques. In this study, we question whether conifers and hardwoods respond equally in terms of sapling growth or lateral growth to openings. We also ask to what distance gaps affect tree growth into the forest. We use multi-temporal lidar to characterize tree/sapling height and lateral growth responses over five years to canopy openings and high resolution images to identify conifers and hardwoods. Species-class-wise height-growth patterns of trees/saplings in various neighborhood contexts were determined across a 6-km matrix of Canadian boreal mixed deciduous coniferous forests. We then use statistical techniques to probe how these growth responses vary by spatial location with respect to the gap edge. Results confirm that both mechanisms of gap closure contribute to the closing of canopies at a rate of 1.2% per annum. Evidence also shows that both hardwood and conifer gap edge trees have a similar lateral growth (average of 22 cm/yr) and similar rates of height growth irrespective of their location and initial height. Height growth of all saplings, however, was strongly dependent on their position within the gap and the size of the gap. Results suggest that hardwood and softwood saplings in gaps have greatest growth rates at distances of 0.5-2 m and 1.5-4 m from the gap edge and in openings smaller than 800 m2 and 250 m2, respectively. Gap effects on the height growth of trees in the intact forest were evident up to 30 m and 20 m from gap edges for hardwood and softwood overstory trees, respectively. Our results thus suggest that foresters should consider silvicultural techniques that create many small openings in mixed coniferous deciduous boreal forests to maximize the growth response of both residual and regenerating trees.

Extended Acceleration in Slot Gaps and Pulsar High-Energy Emission

NASA Technical Reports Server (NTRS)

White, Nicholas E. (Technical Monitor); Muslimov, Alex G.; Harding, Alice K.

2003-01-01

We revise the physics of primary electron acceleration in the "slot gap" (SG) above the pulsar polar caps (PCs), a regime originally proposed by Arons and Scharlemann (1979) in their electrodynamic model of pulsar PCs. We employ the standard definition of the SG as a pair-free space between the last open field lines and the boundary of the pair plasma column which is expected to develop above the bulk of the PC. The rationale for our revision is that the proper treatment of primary acceleration within the pulsar SGs should take into account the effect of the narrow geometry of the gap on the electrodynamics within the gap and also to include the effect of inertial frame dragging on the particle acceleration. We show that the accelerating electric field within the gap, being significantly boosted by the effect of frame dragging, becomes reduced because of the gap geometry by a factor proportional to the square of the SG width. The combination of the effects of frame dragging and geometrical screening in the gap region naturally gives rise to a regime of extended acceleration, that is not limited to favorably curved field lines as in earlier models, and the possibility of multiple-pair production by curvature photons at very high altitudes, up to several stellar radii. We present our estimates of the characteristic SG thickness across the PC, energetics of primaries accelerated within the gap, high-energy bolometric luminosities emitted from the high altitudes in the gaps, and maximum heating luminosities produced by positrons returning from the elevated pair fronts. The estimated theoretical high-energy luminosities are in good agreement with the corresponding empirical relationships for gamma-ray pulsars. We illustrate the results of our modeling of the pair cascades and gamma-ray emission from the high altitudes in the SG for the Crab pulsar. The combination of the frame-dragging field and high-altitude SG emission enables both acceleration at the smaller inclination angles and a larger emission beam, both necessary to produce widely-spaced double-peaked profiles.

Design of lateral heterostructure from arsenene and antimonene

NASA Astrophysics Data System (ADS)

Sun, Qilong; Dai, Ying; Ma, Yandong; Yin, Na; Wei, Wei; Yu, Lin; Huang, Baibiao

2016-09-01

Lateral heterostructures fabricated by two-dimensional building blocks have opened up exciting realms in material science and device physics. Identifying suitable materials for creating such heterostructures is urgently needed for the next-generation devices. Here, we demonstrate a novel type of seamless lateral heterostructures with excellent stabilities formed within pristine arsenene and antimonene. We find that these heterostructures could possess direct and reduced energy gaps without any modulations. Moreover, the highly coveted type-II alignment and the high carrier mobility are also identified, marking the enhanced quantum efficiency. The tensile strain can result in efficient bandgap engineering. Besides, the proposed critical condition for favored direct energy gaps would have a guiding significance on the subsequent works. Generally, our predictions not only introduce new vitality into lateral heterostructures, enriching available candidate materials in this field, but also highlight the potential of these lateral heterostructures as appealing materials for future devices.

First-principles study of intrinsic defects in formamidinium lead triiodide perovskite solar cell absorbers.

PubMed

Liu, Na; Yam, ChiYung

2018-03-07

As an alternative to methylammonium lead triiodide (MAPbI 3 ), formamidinium lead triiodide (FAPbI 3 ) perovskites have recently attracted significant attention because of their higher stability and smaller band gaps. Here, based on first-principles calculations, we investigate systematically the intrinsic defects in FAPbI 3 . While methylammonium (MA)-related defects MA I and I MA in MAPbI 3 have high formation energies, we found that formamidinium (FA)-related defects V FA , FA I and I FA in FAPbI 3 have much lower formation energies. Antisites FA I and I FA create deep levels in the band gap, and they can act as recombination centers and result in reduced carrier lifetimes and low open circuit voltages in FAPbI 3 -based photovoltaic devices. We further demonstrate that through cation mixing of MA and FA in perovskites the formation of these defects can be substantially suppressed.

Optical and spectroscopic studies on tannery wastes as a possible source of organic semiconductors

NASA Astrophysics Data System (ADS)

Nashy, El-Shahat H. A.; Al-Ashkar, Emad; Abdel Moez, A.

2012-02-01

Tanning industry produces a large quantity of solid wastes which contain hide proteins in the form of protein shavings containing chromium salts. The chromium wastes are the main concern from an environmental stand point of view, because chrome wastes posses a significant disposal problem. The present work is devoted to investigate the possibility of utilizing these wastes as a source of organic semi-conductors as an alternative method instead of the conventional ones. The chemical characterization of these wastes was determined. In addition, the Horizontal Attenuated Total Reflection (HATR) FT-IR spectroscopic analysis and optical parameters were also carried out for chromated samples. The study showed that the chromated samples had suitable absorbance and transmittance in the wavelength range (500-850 nm). Presence of chromium salt in the collagen samples increases the absorbance which improves the optical properties of the studied samples and leads to decrease the optical energy gap. The obtained optical energy gap gives an impression that the environmentally hazardous chrome shavings wastes can be utilized as a possible source of natural organic semiconductors with direct and indirect energy gap. This work opens the door to use some hazardous wastes in the manufacture of electronic devices such as IR-detectors, solar cells and also as solar cell windows.

Electrothermal Feedback and Absorption-Induced Open-Circuit-Voltage Turnover in Solar Cells

NASA Astrophysics Data System (ADS)

Ullbrich, Sascha; Fischer, Axel; Tang, Zheng; Ávila, Jorge; Bolink, Henk J.; Reineke, Sebastian; Vandewal, Koen

2018-05-01

Solar panels easily heat up upon intense solar radiation due to excess energy dissipation of the absorbed photons or by nonradiative recombination of charge carriers. Still, photoinduced self-heating is often ignored when characterizing lab-sized samples. For light-intensity-dependent measurements of the open-circuit voltage (Suns-VO C ), allowing us to characterize the recombination mechanism, sample heating is often not considered, although almost 100% of the absorbed energy is converted into heat. Here, we show that the frequently observed stagnation or even decrease in VOC at increasingly high light intensities can be explained by considering an effective electrothermal feedback between the recombination current and the open-circuit voltage. Our analytical model fully explains the experimental data for various solar-cell technologies, comprising conventional inorganic semiconductors as well as organic and perovskite materials. Furthermore, the model can be exploited to determine the ideality factor, the effective gap, and the temperature rise from a single Suns-VOC measurement at ambient conditions.

A mixed acid based vanadium-cerium redox flow battery with a zero-gap serpentine architecture

NASA Astrophysics Data System (ADS)

Leung, P. K.; Mohamed, M. R.; Shah, A. A.; Xu, Q.; Conde-Duran, M. B.

2015-01-01

This paper presents the performance of a vanadium-cerium redox flow battery using conventional and zero-gap serpentine architectures. Mixed-acid solutions based on methanesulfonate-sulfate anions (molar ratio 3:1) are used to enhance the solubilities of the vanadium (>2.0 mol dm-3) and cerium species (>0.8 mol dm-3), thus achieving an energy density (c.a. 28 Wh dm-3) comparable to that of conventional all-vanadium redox flow batteries (20-30 Wh dm-3). Electrochemical studies, including cyclic voltammetry and galvanostatic cycling, show that both vanadium and cerium active species are suitable for energy storage applications in these electrolytes. To take advantage of the high open-circuit voltage (1.78 V), improved mass transport and reduced internal resistance are facilitated by the use of zero-gap flow field architecture, which yields a power density output of the battery of up to 370 mW cm-2 at a state-of-charge of 50%. In a charge-discharge cycle at 200 mA cm-2, the vanadium-cerium redox flow battery with the zero-gap architecture is observed to discharge at a cell voltage of c.a. 1.35 V with a coulombic efficiency of up to 78%.

An Analysis of Open Source Security Software Products Downloads

ERIC Educational Resources Information Center

Barta, Brian J.

2014-01-01

Despite the continued demand for open source security software, a gap in the identification of success factors related to the success of open source security software persists. There are no studies that accurately assess the extent of this persistent gap, particularly with respect to the strength of the relationships of open source software…

Parameter Design and Optimal Control of an Open Core Flywheel Energy Storage System

NASA Technical Reports Server (NTRS)

Pang, D.; Anand, D. K.; Kirk, J. A.

1996-01-01

In low earth orbit (LEO) satellite applications spacecraft power is provided by photovoltaic cells and batteries. To overcome battery shortcomings the University of Maryland, working in cooperation with NASA/GSFC and NASA/LeRC, has developed a magnetically suspended flywheel for energy storage applications. The system is referred to as an Open Core Composite Flywheel (OCCF) energy storage system. Successful application of flywheel energy storage requires integration of several technologies, viz. bearings, rotor design, motor/generator, power conditioning, and system control. In this paper we present a parameter design method which has been developed for analyzing the linear SISO model of the magnetic bearing controller for the OCCF. The objective of this continued research is to principally analyze the magnetic bearing system for nonlinear effects in order to increase the region of stability, as determined by high speed and large air gap control. This is achieved by four tasks: (1) physical modeling, design, prototyping, and testing of an improved magnetically suspended flywheel energy storage system, (2) identification of problems that limit performance and their corresponding solutions, (3) development of a design methodology for magnetic bearings, and (4) design of an optimal controller for future high speed applications. Both nonlinear SISO and MIMO models of the magnetic system were built to study limit cycle oscillations and power amplifier saturation phenomenon observed in experiments. The nonlinear models include the inductance of EM coils, the power amplifier saturation, and the physical limitation of the flywheel movement as discussed earlier. The control program EASY5 is used to study the nonlinear SISO and MIMO models. Our results have shown that the characteristics and frequency responses of the magnetic bearing system obtained from modeling are comparable to those obtained experimentally. Although magnetic saturation is shown in the bearings, there are good correlations between the theoretical model and experimental data. Both simulation and experiment confirm large variations of the magnetic bearing characteristics due to air gap growth. Therefore, the gap growth effect should be considered in the magnetic bearing system design. Additionally, the magnetic bearing control system will be compared to other design methods using not only parameter design but H-infinity optimal control and mu synthesis.

Band gap opening of bilayer graphene by F4-TCNQ molecular doping and externally applied electric field.

PubMed

Tian, Xiaoqing; Xu, Jianbin; Wang, Xiaomu

2010-09-09

The band gap opening of bilayer graphene with one side surface adsorption of F4-TCNQ is reported. F4-TCNQ doped bilayer graphene shows p-type semiconductor characteristics. With a F4-TCNQ concentration of 1.3 x 10(-10) mol/cm(2), the charge transfer between each F4-TCNQ molecule and graphene is 0.45e, and the built-in electric field, E(bi), between the graphene layers could reach 0.070 V/A. The charge transfer and band gap opening of the F4-TCNQ-doped graphene can be further modulated by an externally applied electric field (E(ext)). At 0.077 V/A, the gap opening at the Dirac point (K), DeltaE(K) = 306 meV, and the band gap, E(g) = 253 meV, are around 71% and 49% larger than those of the pristine bilayer under the same E(ext).

Structural and electronic properties of multilayer graphene on monolayer hexagonal boron nitride/nickel (111) interface system: A van der Waals density functional study

NASA Astrophysics Data System (ADS)

Yelgel, Celal

2016-02-01

The structural and electronic properties of multilayer graphene adsorbed on monolayer hexagonal boron nitride (h-BN)/Ni(111) interface system are investigated using the density functional theory with a recently developed non-local van der Waals density functional (rvv10). The most energetically favourable configuration for a monolayer h-BN/Ni(111) interface is found to be N atom atop the Ni atoms and B atom in fcc site with the interlayer distance of 2.04 Å and adsorption energy of 302 meV/BN. Our results show that increasing graphene layers on a monolayer h-BN/Ni(111) interface leads to a weakening of the interfacial interaction between the monolayer h-BN and Ni(111) surface. The adsorption energy of graphene layers on the h-BN/Ni(111) interface is found to be in the range of the 50-120 meV/C atom as the vertical distance from h-BN to the bottommost graphene layers decreases. With the adsorption of a multilayer graphene on the monolayer h-BN/Ni(111) interface system, the band gap of 0.12 eV and 0.25 eV opening in monolayer graphene and bilayer graphene near the K point is found with an upward shifting of the Fermi level. However, a stacking-sensitive band gap is opened in trilayer graphene. We obtain the band gap of 0.35 eV close to the K point with forming a Mexican hat band structure for ABC-stacked trilayer graphene.

Long-distance entanglement and quantum teleportation in XX spin chains

DOE Office of Scientific and Technical Information (OSTI.GOV)

Campos Venuti, L.; Giampaolo, S. M.; CNR-INFM Coherentia, Napoli

2007-11-15

Isotropic XX models of one-dimensional spin-1/2 chains are investigated with the aim to elucidate the formal structure and the physical properties that allow these systems to act as channels for long-distance, high-fidelity quantum teleportation. We introduce two types of models: (i) open, dimerized XX chains, and (ii) open XX chains with small end bonds. For both models we obtain the exact expressions for the end-to-end correlations and the scaling of the energy gap with the length of the chain. We determine the end-to-end concurrence and show that model (i) supports true long-distance entanglement at zero temperature, while model (ii) supportsmore » 'quasi-long-distance' entanglement that slowly falls off with the size of the chain. Due to the different scalings of the gaps, respectively exponential for model (i) and algebraic in model (ii), we demonstrate that the latter allows for efficient qubit teleportation with high fidelity in sufficiently long chains even at moderately low temperatures.« less

Quantum spin Hall state in monolayer 1T '-WTe 2

DOE PAGES

Tang, Shujie; Zhang, Chaofan; Wong, Dillon; ...

2017-06-26

A quantum spin Hall (QSH) insulator is a novel two-dimensional quantum state of matter that features quantized Hall conductance in the absence of a magnetic field, resulting from topologically protected dissipationless edge states that bridge the energy gap opened by band inversion and strong spin–orbit coupling. By investigating the electronic structure of epitaxially grown monolayer 1T '-WTe 2 using angle-resolved photoemission (ARPES) and first-principles calculations, we observe clear signatures of topological band inversion and bandgap opening, which are the hallmarks of a QSH state. Scanning tunnelling microscopy measurements further confirm the correct crystal structure and the existence of a bulkmore » bandgap, and provide evidence for a modified electronic structure near the edge that is consistent with the expectations for a QSH insulator. Our results establish monolayer 1T '-WTe 2 as a new class of QSH insulator with large band gap in a robust two-dimensional materials family of transition metal dichalcogenides (TMDCs).« less

Quantum spin Hall state in monolayer 1T '-WTe 2

DOE PAGES

Tang, Shujie; Zhang, Chaofan; Wong, Dillon; ...

2017-06-26

A quantum spin Hall (QSH) insulator is a novel two-dimensional quantum state of matter that features quantized Hall conductance in the absence of a magnetic field, resulting from topologically protected dissipationless edge states that bridge the energy gap opened by band inversion and strong spin–orbit coupling. By investigating the electronic structure of epitaxially grown monolayer 1T '-WTe 2 using angle-resolved photoemission (ARPES) and first-principles calculations, we observe clear signatures of topological band inversion and bandgap opening, which are the hallmarks of a QSH state. Scanning tunnelling microscopy measurements further confirm the correct crystal structure and the existence of a bulkmore » bandgap, and provide evidence for a modified electronic structure near the edge that is consistent with the expectations for a QSH insulator. Finally, our results establish monolayer 1T '-WTe 2 as a new class of QSH insulator with large band gap in a robust two-dimensional materials family of transition metal dichalcogenides (TMDCs).« less

Topological magnetic phase in LaMnO3 (111) bilayer

NASA Astrophysics Data System (ADS)

Weng, Yakui; Huang, Xin; Yao, Yugui; Dong, Shuai

Candidates for correlated topological insulators, originated from the spin-orbit coupling as well as Hubbard type correlation, are expected in the (111) bilayer of perovskite-structural transition-metal oxides. Based on the first-principles calculation and tight-binding model, the electronic structure of a LaMnO3 (111) bilayer sandwiched in LaScO3 barriers has been investigated. For the ideal undistorted perovskite structure, the Fermi energy of LaMnO3 (111) bilayer just stays at the Dirac point, rendering a semi-metal (graphene-like) which is also a half-metal (different from graphene nor previous studied LaNiO3 (111) bilayer). The Dirac cone can be opened by the spin-orbit coupling, giving rise to nontrivial topological bands corresponding to the (quantized) anomalous Hall effect. For the realistic orthorhombic distorted lattice, the Dirac point moves with increasing Hubbard repulsion (or equivalent Jahn-Teller distortion). Finally, a Mott gap opens, establishing a phase boundary between the Mott insulator and topological magnetic insulator. Our calculation finds that the gap opened by spin-orbit coupling is much smaller in the orthorhombic distorted lattice (~ 1 . 7 meV) than the undistorted one (~11 meV).

Semiconductor quantum well irradiated by a two-mode electromagnetic field as a terahertz emitter

NASA Astrophysics Data System (ADS)

Mandal, S.; Liew, T. C. H.; Kibis, O. V.

2018-04-01

We study theoretically the nonlinear optical properties of a semiconductor quantum well (QW) irradiated by a two-mode electromagnetic wave consisting of a strong resonant dressing field and a weak off-resonant driving field. In the considered strongly coupled electron-field system, the dressing field opens dynamic Stark gaps in the electron energy spectrum of the QW, whereas the driving field induces electron oscillations in the QW plane. Since the gapped electron spectrum restricts the amplitude of the oscillations, the emission of a frequency comb from the QW appears. Therefore, the doubly driven QW operates as a nonlinear optical element which can be used, particularly, for optically controlled generation of terahertz radiation.

Tunable electronic properties of silicene/GaP heterobilayer: Effects of electric field or biaxial tensile strain

NASA Astrophysics Data System (ADS)

Zhang, Peng; Yang, Xibin; Wu, Wei; Tian, Lifen; Cui, Heping; Zheng, Kai; Jiang, Junke; Chen, Xianping; Ye, Huaiyu

2018-05-01

We systematically investigate the electronic properties the two-dimensional (2D) silicene/GaP heterobilayer by using density functional theory calculations. We find the silicene and GaP monolayer are bounded to each other via orbital hybridization, and the charge redistribution occurring at the silicene/GaP interface leads to the opening of a direct energy band gap of about 0.997 eV in silicene. Importantly, by applying external electric field, the band structure of silicene/GaP heterostructure can be effectively modulated, and a semiconductor-metal transition even emerges. These intriguing properties make the silicene/GaP heterobilayer a promising 2D material for future electronics and strain sensors.

Identification and characterization of ten new water gaps in seeds and fruits with physical dormancy and classification of water-gap complexes

PubMed Central

Gama-Arachchige, N. S.; Baskin, J. M.; Geneve, R. L.; Baskin, C. C.

2013-01-01

Background and Aims Physical dormancy (PY) occurs in seeds or fruits of 18 angiosperm families and is caused by a water-impermeable palisade cell layer(s) in seed or fruit coats. Prior to germination, the seed or fruit coat of species with PY must become permeable in order to imbibe water. Breaking of PY involves formation of a small opening(s) (water gap) in a morpho-anatomically specialized area in seeds or fruits known as the water-gap complex. Twelve different water-gap regions in seven families have previously been characterized. However, the water-gap regions had not been characterized in Cucurbitaceae; clade Cladrastis of Fabaceae; subfamilies Bombacoideae, Brownlowioideae and Bythnerioideae of Malvaceae; Nelumbonaceae; subfamily Sapindoideae of Sapindaceae; Rhamnaceae; or Surianaceae. The primary aims of this study were to identify and describe the water gaps of these taxa and to classify all the known water-gap regions based on their morpho-anatomical features. Methods Physical dormancy in 15 species was broken by exposing seeds or fruits to wet or dry heat under laboratory conditions. Water-gap regions of fruits and seeds were identified and characterized by use of microtome sectioning, light microscopy, scanning electron microscopy, dye tracking and blocking experiments. Key Results Ten new water-gap regions were identified in seven different families, and two previously hypothesized regions were confirmed. Water-gap complexes consist of (1) an opening that forms after PY is broken; (2) a specialized structure that occludes the gap; and (3) associated specialized tissues. In some species, more than one opening is involved in the initial imbibition of water. Conclusions Based on morpho-anatomical features, three basic water-gap complexes (Types-I, -II and -III) were identified in species with PY in 16 families. Depending on the number of openings involved in initial imbibition, the water-gap complexes were sub-divided into simple and compound. The proposed classification system enables understanding of the relationships between the water-gap complexes of taxonomically unrelated species with PY. PMID:23649182

Two-Pole Caustic Model for High-Energy Lightcurves of Pulsars

NASA Technical Reports Server (NTRS)

Dyks, J.; Rudak, B.

2003-01-01

We present a new model of high-energy lightcurves from rotation powered pulsars. The key ingredient of the model is the gap region (i.e. the region where particle acceleration is taking place and high-energy photons originate) which satisfies the following assumptions: i) the gap region extends from each polar cap to the light cylinder; ii) the gap is thin and confined to the surface of last open magnetic-field lines; iii) photon emissivity is uniform within the gap region. The model lightcurves are dominated by strong peaks (either double or single) of caustic origin. Unlike in other pulsar models with caustic effects, the double peaks arise due to crossing two caustics, each of which is associated with a different magnetic pole. The generic features of the lightcurves are consistent with the observed characteristics of pulsar lightcurves: 1) the most natural (in terms of probability) shape consists of two peaks (separated by 0.4 to 0.5 in phase for large viewing angles); 2) the peaks possess well developed wings; 3) there is a bridge (inter-peak) emission component; 4) there is a non-vanishing off-pulse emission level; 5) the radio pulse occurs before the leading high-energy peak. The model is well suited for four gamma-ray pulsars - Crab, Vela, Geminga and B1951+32 - with double-peak lightcurves exhibiting the peak separation of 0.4 to 0.5 in phase. Hereby, we apply the model to the Vela pulsar. Moreover, we indicate the limitation of the model in accurate reproducing of the lightcurves with single pulses and narrowly separated (about 0.2 in phase) pulse peaks. We also discuss the optical polarization properties for the Crab pulsar in the context of the two-pole caustic model.

Open framework metal chalcogenides as efficient photocatalysts for reduction of CO2 into renewable hydrocarbon fuel.

PubMed

Sasan, Koroush; Lin, Qipu; Mao, Chengyu; Feng, Pingyun

2016-06-07

Open framework metal chalcogenides are a family of porous semiconducting materials with diverse chemical compositions. Here we show that these materials containing covalent three-dimensional superlattices of nanosized supertetrahedral clusters can function as efficient photocatalysts for the reduction of CO2 to CH4. Unlike dense semiconductors, metal cations are successfully incorporated into the channels of the porous semiconducting materials to further tune the physical properties of the materials such as electrical conductivity and band gaps. In terms of the photocatalytic properties, the metal-incorporated porous chalcogenides demonstrated enhanced solar energy absorption and higher electrical conductivity and improved photocatalytic activity.

Weak localization effect in topological insulator micro flakes grown on insulating ferrimagnet BaFe12O19

PubMed Central

Zheng, Guolin; Wang, Ning; Yang, Jiyong; Wang, Weike; Du, Haifeng; Ning, Wei; Yang, Zhaorong; Lu, Hai-Zhou; Zhang, Yuheng; Tian, Mingliang

2016-01-01

Many exotic physics anticipated in topological insulators require a gap to be opened for their topological surface states by breaking time reversal symmetry. The gap opening has been achieved by doping magnetic impurities, which however inevitably create extra carriers and disorder that undermine the electronic transport. In contrast, the proximity to a ferromagnetic/ferrimagnetic insulator may improve the device quality, thus promises a better way to open the gap while minimizing the side-effects. Here, we grow thin single-crystal Sb1.9Bi0.1Te3 micro flakes on insulating ferrimagnet BaFe12O19 by using the van der Waals epitaxy technique. The micro flakes show a negative magnetoresistance in weak perpendicular fields below 50 K, which can be quenched by increasing temperature. The signature implies the weak localization effect as its origin, which is absent in intrinsic topological insulators, unless a surface state gap is opened. The surface state gap is estimated to be 10 meV by using the theory of the gap-induced weak localization effect. These results indicate that the magnetic proximity effect may open the gap for the topological surface attached to BaM insulating ferrimagnet. This heterostructure may pave the way for the realization of new physical effects as well as the potential applications of spintronics devices. PMID:26891682

Effects of the charge-transfer reorganization energy on the open-circuit voltage in small-molecular bilayer organic photovoltaic devices: comparison of the influence of deposition rates of the donor.

PubMed

Lee, Chih-Chien; Su, Wei-Cheng; Chang, Wen-Chang

2016-05-14

The theoretical maximum of open-circuit voltage (VOC) of organic photovoltaic (OPV) devices has yet to be determined, and its origin remains debated. Here, we demonstrate that VOC of small-molecule OPV devices can be improved by controlling the deposition rate of a donor without changing the interfacial energy gap at the donor/acceptor interface. The measurement of external quantum efficiency and electroluminescence spectra facilitates the observation of the existence of charge transfer (CT) states. A simplified approach by reusing the reciprocity relationship for obtaining the properties of the CT states is proposed without introducing complex techniques. We compare experimental and fitting results and propose that reorganization energy is the primary factor in determining VOC instead of either the CT energy or electronic coupling term in bilayer OPV devices. Atomic force microscopy images indicate a weak molecular aggregation when a higher deposition rate is used. The results of temperature-dependent measurements suggest the importance of molecular stacking for the CT properties.

Fast events in single-channel currents activated by acetylcholine and its analogues at the frog muscle end-plate.

PubMed Central

Colquhoun, D; Sakmann, B

1985-01-01

The fine structure of ion-channel activations by junctional nicotinic receptors in adult frog muscle fibres has been investigated. The agonists used were acetylcholine (ACh), carbachol (CCh), suberyldicholine (SubCh) and decan-1,10-dicarboxylic acid dicholine ester (DecCh). Individual activations (bursts) were interrupted by short closed periods; the distribution of their durations showed a major fast component ('short gaps') and a minor slower component ('intermediate gaps'). The mean duration of both short and intermediate gaps was dependent on the nature of the agonist. For short gaps the mean durations (microseconds) were: ACh, 20; SubCh, 43; DecCh, 71; CCh, 13. The mean number of short gaps per burst were: ACh, 1.9; SubCh, 4.1; DecCh, 2.0. The mean number of short gaps per burst, and the mean number per unit open time, were dependent on the nature of the agonist, but showed little dependence on agonist concentration or membrane potential for ACh, SubCh and DecCh. The short gaps in CCh increased in frequency with agonist concentration and were mainly produced by channel blockages by CCh itself. Partially open channels (subconductance states) were clearly resolved rarely (0.4% of gaps within bursts) but regularly. Conductances of 18% (most commonly) and 71% of the main value were found. However, most short gaps were probably full closures. The distribution of burst lengths had two components. The faster component represented mainly isolated short openings that were much more common at low agonist concentrations. The slower component represented bursts of longer openings. Except at very low concentrations more than 85% of activations were of this type, which corresponds to the 'channel lifetime' found by noise analysis. The frequency of channel openings increased slightly with hyperpolarization. The short gaps during activations were little affected when (a) the [H+]o or [Ca2+]o were reduced to 1/10th of normal, (b) when extracellular Ca2+ was replaced by Mg2+, (c) when the [Cl-]i was raised or (d) when, in one experiment on an isolated inside-out patch, the normal intracellular constituents were replaced by KCl. Reduction of [Ca2+]O to 1/10 of normal increased the single-channel conductance by 50%, and considerably increased the number of intermediate gaps. No temporal asymmetry was detectable in the bursts of openings. Positive correlations were found between the lengths of successive apparent open times at low SubCh concentrations, but no correlations between burst lengths were detectable. The component of brief openings behaves, at low concentrations, as though it originates from openings of singly occupied channels.(ABSTRACT TRUNCATED AT 400 WORDS) Images Fig. 11 Fig. 14 Plate 1 PMID:2419552

Giant spin gap and magnon localization in the disordered Heisenberg antiferromagnet Sr 2 Ir 1 - x Ru x O 4

DOE PAGES

Cao, Yue; Liu, X.; Xu, Wenhu; ...

2017-03-06

Here, we study the evolution of magnetic excitations in the disordered two-dimensional antiferromagnet Sr 2Ir 1–xRuxO 4. The maximum energy of the magnetic excitation remains robust up to x = 0.77, with a gap opening at low dopings and increasing to over 150 meV at x = 0.77. At these higher Ru concentrations, the dispersive magnetic excitations in Sr 2IrO 4 are rendered essentially momentum independent. Up to a Ru concentration of x = 0.77, both experiments and first-principles calculations show the Ir J eff = 1/2 state remains intact. The magnetic gap arises from the local interaction anisotropy inmore » the proximity of the Ru disorder. Under the coherent potential approximation, we reproduce the experimental magnetic excitations using the disordered Heisenberg antiferromagnetic model with suppressed next-nearest-neighbor ferromagnetic coupling.« less

Giant spin gap and magnon localization in the disordered Heisenberg antiferromagnet Sr2Ir1 -xRuxO4

NASA Astrophysics Data System (ADS)

Cao, Yue; Liu, X.; Xu, Wenhu; Yin, Wei-Guo; Meyers, D.; Kim, Jungho; Casa, Diego; Upton, M. H.; Gog, Thomas; Berlijn, Tom; Alvarez, Gonzalo; Yuan, Shujuan; Terzic, Jasminka; Tranquada, J. M.; Hill, John P.; Cao, Gang; Konik, Robert M.; Dean, M. P. M.

2017-03-01

We study the evolution of magnetic excitations in the disordered two-dimensional antiferromagnet Sr2Ir1 -xRuxO4 . The maximum energy of the magnetic excitation remains robust up to x =0.77 , with a gap opening at low dopings and increasing to over 150 meV at x =0.77 . At these higher Ru concentrations, the dispersive magnetic excitations in Sr2IrO4 are rendered essentially momentum independent. Up to a Ru concentration of x =0.77 , both experiments and first-principles calculations show the Ir Jeff=1 /2 state remains intact. The magnetic gap arises from the local interaction anisotropy in the proximity of the Ru disorder. Under the coherent potential approximation, we reproduce the experimental magnetic excitations using the disordered Heisenberg antiferromagnetic model with suppressed next-nearest-neighbor ferromagnetic coupling.

Multifunctional porous graphene for nanoelectronics and hydrogen storage: new properties revealed by first principle calculations.

PubMed

Du, Aijun; Zhu, Zhonghua; Smith, Sean C

2010-03-10

The lack of an obvious "band gap" is a formidable hurdle for making a nanotransistor from graphene. Here, we use density functional calculations to demonstrate for the first time that porosity such as evidenced in recently synthesized porous graphene ( http://www.sciencedaily.com/releases/2009/11/091120084337.htm ) opens a band gap. The size of the band gap (3.2 eV) is comparable to most popular photocatalytic titania and graphitic C(3)N(4) materials. In addition, the adsorption of hydrogen on Li-decorated porous graphene is much stronger than that in regular Li-doped graphene due to the natural separation of Li cations, leading to a potential hydrogen storage gravimetric capacity of 12 wt %. In light of the most recent experimental progress on controlled synthesis, these results uncover new potential for the practical application of porous graphene in nanoelectronics and clean energy.

Dominant Majorana bound energy and critical current enhancement in ferromagnetic-superconducting topological insulator

NASA Astrophysics Data System (ADS)

Khezerlou, Maryam; Goudarzi, Hadi; Asgarifar, Samin

2017-03-01

Among the potential applications of topological insulators, we theoretically study the coexistence of proximity-induced ferromagnetic and superconducting orders in the surface states of a 3-dimensional topological insulator. The superconducting electron-hole excitations can be significantly affected by the magnetic order induced by a ferromagnet. In one hand, the surface state of the topological insulator, protected by the time-reversal symmetry, creates a spin-triplet and, on the other hand, magnetic order causes to renormalize the effective superconducting gap. We find Majorana mode energy along the ferromagnet/superconductor interface to sensitively depend on the magnitude of magnetization m zfs from superconductor region, and its slope around perpendicular incidence is steep with very low dependency on m zfs . The superconducting effective gap is renormalized by a factor η( m zfs ), and Andreev bound state in ferromagnet-superconductor/ferromagnet/ferromagnet-superconductor (FS/F/FS) Josephson junction is more sensitive to the magnitude of magnetizations of FS and F regions. In particular, we show that the presence of m zfs has a noticeable impact on the gap opening in Andreev bound state, which occurs in finite angle of incidence. This directly results in zero-energy Andreev state being dominant. By introducing the proper form of corresponding Dirac spinors for FS electron-hole states, we find that via the inclusion of m zfs , the Josephson supercurrent is enhanced and exhibits almost abrupt crossover curve, featuring the dominant zero-energy Majorana bound states.

Study of magnetism in Cr doped (Bi1-xSbx)2Te3

NASA Astrophysics Data System (ADS)

Richardella, Anthony; Kandala, Abhinav; Kempinger, Susan; Samarth, Nitin; Grutter, Alex; Borchers, Julie

2015-03-01

The quantum anomalous Hall (QAH) effect was first observed in Cr doped films of the topological insulator (TI) (Bi1-xSbx)2Te3. This ferromagnetic TI opens a gap at the Dirac point and, when the Fermi energy lies inside this gap, a quantized QAH conductance can be observed. The origin of ferromagnetism in this material is still not well understood with the mechanism typically attributed to either a high van-Vleck susceptibility or a carrier mediated RKKY like interaction. To elucidate this we have studied Cry(Bi1-xSbx)2-yTe3 thin films grown by MBE on SrTiO3 (STO) substrates using polarized neutron reflectivity (PNR) while in-situ backgating the film to change the position of the Fermi energy. The films are also characterized by XRD, AFM, TEM and low temperature transport measurements. PNR measurements provide a direct measure of the depth dependent magnetization of a sample. We use this to study how the magnetization changes as the Fermi energy is moved towards the Dirac point. Funded by DARPA and ARO-MURI.

Phosphorene for energy and catalytic application—filling the gap between graphene and 2D metal chalcogenides

NASA Astrophysics Data System (ADS)

Jain, Rishabh; Narayan, Rekha; Padmajan Sasikala, Suchithra; Lee, Kyung Eun; Jung, Hong Ju; Ouk Kim, Sang

2017-12-01

Phosphorene, a newly emerging graphene analogous 2D elemental material of phosphorous atoms, is unique on the grounds of its natural direct band gap opening, highly anisotropic and extraordinary physical properties. This review highlights the current status of phosphorene research in energy and catalytic applications. The initial part illustrates the typical physical properties of phosphorene, which successfully bridge the prolonged gap between graphene and 2D metal chalcogenides. Various synthetic methods available for black phosphorus (BP) and the exfoliation/growth techniques for single to few-layer phosphorene are also overviewed. The latter part of this review details the working mechanisms and performances of phosphorene/BP in batteries, supercapacitors, photocatalysis, and electrocatalysis. Special attention has been paid to the research efforts to overcome the inherent shortcomings faced by phosphorene based devices. The relevant device performances are compared with graphene and 2D metal chalcogenides based counterparts. Furthermore, the underlying mechanism behind the unstable nature of phosphorene under ambient condition is discussed along with the various approaches to avoid ambient degradation. Finally, comments are offered for the future prospective explorations and outlook as well as challenges lying in the road ahead for phosphorene research.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brandt, Riley E.; Mangan, Niall M.; Li, Jian V.

The development of new thin-film photovoltaic (PV) absorbers is often hindered by the search for an optimal heterojunction contact; an unoptimized contact may be mistaken for poor quality of the underlying absorber, making it difficult to assess the reasons for poor performance. Therefore, quantifying the loss in device efficiency and open-circuit voltage (VOC) as a result of the interface is a critical step in evaluating a new material. In the present work, we fabricate thin-film PV devices using cuprous oxide (Cu2O), with several different n-type heterojunction contacts. Their current-voltage characteristics are measured over a range of temperatures and illumination intensitiesmore » (JVTi). We quantify the loss in VOC due to the interface and determine the effective energy gap at the interface. The effective interface gap measured by JVTi matches the gap measured by X-ray photoelectron spectroscopy, albeit with higher energy resolution and an order of magnitude faster. We discuss potential artifacts in JVTi measurements and areas where analytical models are insufficient. Applying JVTi to complete devices, rather than incomplete material stacks, suggests that it can be a quick, accurate method to assess the loss due to unoptimized interface band offsets in thin-film PV devices.« less

Gap-state engineering of visible-light-active ferroelectrics for photovoltaic applications.

PubMed

Matsuo, Hiroki; Noguchi, Yuji; Miyayama, Masaru

2017-08-08

Photoferroelectrics offer unique opportunities to explore light energy conversion based on their polarization-driven carrier separation and above-bandgap voltages. The problem associated with the wide bandgap of ferroelectric oxides, i.e., the vanishingly small photoresponse under visible light, has been overcome partly by bandgap tuning, but the narrowing of the bandgap is, in principle, accompanied by a substantial loss of ferroelectric polarization. In this article, we report an approach, 'gap-state' engineering, to produce photoferroelectrics, in which defect states within the bandgap act as a scaffold for photogeneration. Our first-principles calculations and single-domain thin-film experiments of BiFeO 3 demonstrate that gap states half-filled with electrons can enhance not only photocurrents but also photovoltages over a broad photon-energy range that is different from intermediate bands in present semiconductor-based solar cells. Our approach opens a promising route to the material design of visible-light-active ferroelectrics without sacrificing spontaneous polarization.Overcoming the optical transparency of wide bandgap of ferroelectric oxides by narrowing its bandgap tends to result in a loss of polarization. By utilizing defect states within the bandgap, Matsuo et al. report visible-light-active ferroelectrics without sacrificing polarization.

Symmetry-breaking charge transfer in a zinc chlorodipyrrin acceptor for high open circuit voltage organic photovoltaics.

PubMed

Bartynski, Andrew N; Gruber, Mark; Das, Saptaparna; Rangan, Sylvie; Mollinger, Sonya; Trinh, Cong; Bradforth, Stephen E; Vandewal, Koen; Salleo, Alberto; Bartynski, Robert A; Bruetting, Wolfgang; Thompson, Mark E

2015-04-29

Low open-circuit voltages significantly limit the power conversion efficiency of organic photovoltaic devices. Typical strategies to enhance the open-circuit voltage involve tuning the HOMO and LUMO positions of the donor (D) and acceptor (A), respectively, to increase the interfacial energy gap or to tailor the donor or acceptor structure at the D/A interface. Here, we present an alternative approach to improve the open-circuit voltage through the use of a zinc chlorodipyrrin, ZCl [bis(dodecachloro-5-mesityldipyrrinato)zinc], as an acceptor, which undergoes symmetry-breaking charge transfer (CT) at the donor/acceptor interface. DBP/ZCl cells exhibit open-circuit voltages of 1.33 V compared to 0.88 V for analogous tetraphenyldibenzoperyflanthrene (DBP)/C60-based devices. Charge transfer state energies measured by Fourier-transform photocurrent spectroscopy and electroluminescence show that C60 forms a CT state of 1.45 ± 0.05 eV in a DBP/C60-based organic photovoltaic device, while ZCl as acceptor gives a CT state energy of 1.70 ± 0.05 eV in the corresponding device structure. In the ZCl device this results in an energetic loss between E(CT) and qV(OC) of 0.37 eV, substantially less than the 0.6 eV typically observed for organic systems and equal to the recombination losses seen in high-efficiency Si and GaAs devices. The substantial increase in open-circuit voltage and reduction in recombination losses for devices utilizing ZCl demonstrate the great promise of symmetry-breaking charge transfer in organic photovoltaic devices.

Learning from hackers: open-source clinical trials.

PubMed

Dunn, Adam G; Day, Richard O; Mandl, Kenneth D; Coiera, Enrico

2012-05-02

Open sharing of clinical trial data has been proposed as a way to address the gap between the production of clinical evidence and the decision-making of physicians. A similar gap was addressed in the software industry by their open-source software movement. Here, we examine how the social and technical principles of the movement can guide the growth of an open-source clinical trial community.

The Development and Practical Use of A New 24kV Dry Air Insulated Switchgear

NASA Astrophysics Data System (ADS)

Yoshida, Tadahiro; Yano, Tomotaka; Tohya, Nobumoto; Inoue, Naoaki; Arioka, Masahiro; Sato, Shinji; Takeuchi, Toshie

We have developed a new environmentally fitted 24kV cubicle-type gas insulated switchgear (C-GIS) applying our dry air insulation technology and the electromagnetic actuation technology. Firstly, we clarified the relationship between the breakdown field strength at the tip/edge of high-voltage electrode in dry air and the field utilization factor expressing non-uniformity of the insulation gap. Based on the relationship, we designed the most suitable configuration and arrangement of the parts such as high-voltage conductors, disconnecting blades and some mechanical parts in a gas vessel. We succeeded in reducing both the number of insulation barriers and their size, compared with the former product. To reduce them, we produced some sample gaps simulated a practical insulation gap in the C-GIS and investigated its breakdown voltage dependence on the barrier height. Secondly, to apply the electromagnetic actuators for the operation mechanisms of the vacuum circuit breaker, we developed a new coupled analysis method that estimates the movement of a plunger inside the electromagnetic actuator and the electric current flowing through a closing/opening coil. Based on the analysis method, we could reduce both the number of the parts and close/open energy 45% and 80%, respectively, compared with the former spring-charged mechanism.

Airfoil for a gas turbine engine

DOEpatents

Liang, George [Palm City, FL

2011-05-24

An airfoil is provided for a turbine of a gas turbine engine. The airfoil comprises: an outer structure comprising a first wall including a leading edge, a trailing edge, a pressure side, and a suction side; an inner structure comprising a second wall spaced from the first wall and at least one intermediate wall; and structure extending between the first and second walls so as to define first and second gaps between the first and second walls. The second wall and the at least one intermediate wall define at least one pressure side supply cavity and at least one suction side supply cavity. The second wall may include at least one first opening near the leading edge of the first wall. The first opening may extend from the at least one pressure side supply cavity to the first gap. The second wall may further comprise at least one second opening near the trailing edge of the outer structure. The second opening may extend from the at least one suction side supply cavity to the second gap. The first wall may comprise at least one first exit opening extending from the first gap through the pressure side of the first wall and at least one second exit opening extending from the second gap through the suction side of the second wall.

Band gap in tubular pillar phononic crystal plate.

PubMed

Shu, Fengfeng; Liu, Yongshun; Wu, Junfeng; Wu, Yihui

2016-09-01

In this paper, a phononic crystal (PC) plate with tubular pillars is presented and investigated. The band structures and mode displacement profiles are calculated by using finite element method. The result shows that a complete band gap opens when the ratio of the pillar height to the plate thickness is about 1.6. However, for classic cylinder pillar structures, a band gap opens when the ratio is equal or greater than 3. A tubular pillar design with a void room in it enhances acoustic multiple scattering and gives rise to the opening of the band gap. In order to verify it, a PC structure with double tubular pillars different in size (one within the other) is introduced and a more than 2times band gap enlargement is observed. Furthermore, the coupling between the resonant mode and the plate mode around the band gap is characterized, as well as the effect of the geometrical parameters on the band gap. The behavior of such structure could be utilized to design a pillar PC with stronger structural stability and to enlarge band gaps. Copyright © 2016 Elsevier B.V. All rights reserved.

Crystal and electronic structure of copper sulfides

NASA Astrophysics Data System (ADS)

Lukashev, Pavel

Copper sulfides with different copper concentration exist in mineral form ranging from CuS to Cu2S. Among these, chalcosite Cu 2S, and digenite Cu1.8S were the subject of extensive research for decades mainly because of their use as the absorber in photovoltaic cells. Yet; their electronic structure is poorly understood because their crystal structure is complex. Most of the results published so far report the semiconducting nature of these compounds with the energy band gap being in the range of 0.84 to 1.9 eV. The crystal structure consists of a close-packed lattice of S with mobile Cu occupying various types of interstitial sites with a statistical distribution depending on temperature. In this thesis we present the first computational study of their electronic band structure. Initially, we investigated the simpler antifluorite structure. Both local density approximation (LDA) and self-consistent quasiparticle GW calculations with the full-potential linearized muffin-tin orbital method give a semimetallic band structure. Inspection of the nature of the bands shows that the lowest conduction band is mainly Cu-s-like except right near the center of the Brillouin zone where a Cu-s-like state lies about 1 eV below the valence band maximum. Significantly, in GW calculations, this state shifts up by several 0.1 eV but not sufficiently to open a gap. A random distortion of the Cu atoms from the perfect antifluorite positions is found to break the degeneracy of the d state at the Gamma-point and thus opens up a small gap of about 0.1 eV in LDA. As our next step we constructed supercell models for the cubic and hexagonal phases with the Cu positions determined by a weighted random number generator. The low temperature monoclinic phase was also studied. The computed total energies of these structures follow the same order as the reported phases with increasing temperatures. All these models gave similar small band gaps of order 0.1-0.2 eV. However, their conduction band is now mainly s-like and addition of an expected Cu-s level shift opens the gap to about 0.5 eV. Some simpler hexagonal model structures gave slightly larger band gap but were found to be unrealistic. The optical absorption data all show a strong intraband absorption with a minimum in absorption at about 1 eV. Our calculations suggest a significantly lower gap of order 0.5 eV with low absorption cross section, the true nature of which is masked by the free carrier absorption. As part of our study of the related Cu-compounds, we analyzed the quasiparticle effects beyond LDA obtained from a GW calculation on the effective masses and Kohn-Luttinger hamiltonian parameters for CuBr.

Anomalous bulk behavior in the free parafermion Z (N ) spin chain

NASA Astrophysics Data System (ADS)

Alcaraz, Francisco C.; Batchelor, Murray T.

2018-06-01

We demonstrate using direct numerical diagonalization and extrapolation methods that boundary conditions have a profound effect on the bulk properties of a simple Z (N ) model for N ≥3 for which the model Hamiltonian is non-Hermitian. For N =2 the model reduces to the well-known quantum Ising model in a transverse field. For open boundary conditions, the Z (N ) model is known to be solved exactly in terms of free parafermions. Once the ends of the open chain are connected by considering the model on a ring, the bulk properties, including the ground-state energy per site, are seen to differ dramatically with increasing N . Other properties, such as the leading finite-size corrections to the ground-state energy, the mass gap exponent, and the specific-heat exponent, are also seen to be dependent on the boundary conditions. We speculate that this anomalous bulk behavior is a topological effect.

Caps and gaps: a computer model for studies on brood incubation strategies in honeybees (Apis mellifera carnica)

NASA Astrophysics Data System (ADS)

Fehler, Manuel; Kleinhenz, Marco; Klügl, Franziska; Puppe, Frank; Tautz, Jürgen

2007-08-01

In addition to heat production on the comb surface, honeybee workers frequently visit open cells (“gaps”) that are scattered throughout the sealed brood area, and enter them to incubate adjacent brood cells. We examined the efficiency of this heating strategy under different environmental conditions and for gap proportions from 0 to 50%. For gap proportions from 4 to 10%, which are common to healthy colonies, we find a significant reduction in the incubation time per brood cell to maintain the correct temperature. The savings make up 18 to 37% of the time, which would be required for this task in completely sealed brood areas without any gaps. For unnatural high proportions of gaps (>20%), which may be the result of inbreeding or indicate a poor condition of the colony, brood nest thermoregulation becomes less efficient, and the incubation time per brood cell has to increase to maintain breeding temperature. Although the presence of gaps is not essential to maintain an optimal brood nest temperature, a small number of gaps make heating more economical by reducing the time and energy that must be spent on this vital task. As the benefit depends on the availability, spatial distribution and usage of gaps by the bees, further studies need to show the extent to which these results apply to real colonies.

Temperature dependence of the superconducting energy gaps in Ca9.35La0.65(Pt3As8)(Fe2As2)5 single crystal.

PubMed

Seo, Yu-Il; Choi, Woo-Jae; Ahmad, D; Kimura, Shin-Ichi; Kwon, Yong Seung

2018-06-05

We measured the optical reflectivity R(ω) for an underdoped (Ca 0.935 La 0.065 ) 10 (Pt 3 As 8 )(Fe 2 As 2 ) 5 single crystal and obtained the optical conductivity [Formula: see text] using the K-K transformation. The normal state [Formula: see text] at 30 K is well fitted by a Drude-Lorentz model with two Drude components (ω p1  = 1446 cm -1 and ω p2  = 6322 cm -1 ) and seven Lorentz components. Relative reflectometry was used to accurately determine the temperature dependence of the superconducting gap at various temperatures below T c . The results clearly show the opening of a superconducting gap with a weaker second gap structure; the magnitudes for the gaps are estimated from the generalized Mattis-Bardeen model to be Δ 1  = 30 and Δ 2  = 50 cm -1 , respectively, at T = 8 K, which both decrease with increasing temperature. The temperature dependence of the gaps was not consistent with one-band BCS theory but was well described by a two-band (hence, two gap) BCS model with interband interactions. The temperature dependence of the superfluid density is flat at low temperatures, indicating an s-wave full-gap superconducting state.

Ab initio density functional theory study on the atomic and electronic structure of GaP/Si(001) heterointerfaces

NASA Astrophysics Data System (ADS)

Romanyuk, O.; Supplie, O.; Susi, T.; May, M. M.; Hannappel, T.

2016-10-01

The atomic and electronic band structures of GaP/Si(001) heterointerfaces were investigated by ab initio density functional theory calculations. Relative total energies of abrupt interfaces and mixed interfaces with Si substitutional sites within a few GaP layers were derived. It was found that Si diffusion into GaP layers above the first interface layer is energetically unfavorable. An interface with Si/Ga substitution sites in the first layer above the Si substrate is energetically the most stable one in thermodynamic equilibrium. The electronic band structure of the epitaxial GaP/Si(001) heterostructure terminated by the (2 ×2 ) surface reconstruction consists of surface and interface electronic states in the common band gap of two semiconductors. The dispersion of the states is anisotropic and differs for the abrupt Si-Ga, Si-P, and mixed interfaces. Ga 2 p , P 2 p , and Si 2 p core-level binding-energy shifts were computed for the abrupt and the lowest-energy heterointerface structures. Negative and positive core-level shifts due to heterovalent bonds at the interface are predicted for the abrupt Si-Ga and Si-P interfaces, respectively. The distinct features in the heterointerface electronic structure and in the core-level shifts open new perspectives in the experimental characterization of buried polar-on-nonpolar semiconductor heterointerfaces.

Optical and spectroscopic studies on tannery wastes as a possible source of organic semiconductors.

PubMed

Nashy, El-Shahat H A; Al-Ashkar, Emad; Moez, A Abdel

2012-02-01

Tanning industry produces a large quantity of solid wastes which contain hide proteins in the form of protein shavings containing chromium salts. The chromium wastes are the main concern from an environmental stand point of view, because chrome wastes posses a significant disposal problem. The present work is devoted to investigate the possibility of utilizing these wastes as a source of organic semi-conductors as an alternative method instead of the conventional ones. The chemical characterization of these wastes was determined. In addition, the Horizontal Attenuated Total Reflection (HATR) FT-IR spectroscopic analysis and optical parameters were also carried out for chromated samples. The study showed that the chromated samples had suitable absorbance and transmittance in the wavelength range (500-850 nm). Presence of chromium salt in the collagen samples increases the absorbance which improves the optical properties of the studied samples and leads to decrease the optical energy gap. The obtained optical energy gap gives an impression that the environmentally hazardous chrome shavings wastes can be utilized as a possible source of natural organic semiconductors with direct and indirect energy gap. This work opens the door to use some hazardous wastes in the manufacture of electronic devices such as IR-detectors, solar cells and also as solar cell windows. Copyright © 2011 Elsevier B.V. All rights reserved.

Finite element simulation of gap opening between cladding tube and spacer grid in a fuel rod assembly using crystallographic models of irradiation growth and creep

DOE Office of Scientific and Technical Information (OSTI.GOV)

Patra, Anirban; Tomé, Carlos N.

A physically-based crystal plasticity framework for modeling irradiation growth and creep is interfaced with the finite element code ABAQUS in order to study the contact forces and the gap evolution between the spacer grid and the cladding tube as a function of irradiation in a representative section of a fuel rod assembly. Deformation mechanisms governing the gap opening are identified and correlated to the texture-dependent material response. Thus, in the absence of coolant flow-induced vibrations, these simulations predict the contribution of irradiation growth and creep to the gap opening between the cladding tube and the springs and dimples on themore » spacer grid. The simulated contact forces on the springs and dimples are compared to available experimental and modeling data. Various combinations of external loads are applied on the springs and dimples to simulate fuel rods in the interior and at the periphery of the fuel rod assembly. Furthermore, we found that loading conditions representative (to a first order approximation) of fuel rods at the periphery show higher gap opening. This is in agreement with in-reactor data, where rod leakages due to the synergistic effects of gap opening and coolant flow-induced vibrations were generally found to occur at the periphery of the fuel rod assembly.« less

Finite element simulation of gap opening between cladding tube and spacer grid in a fuel rod assembly using crystallographic models of irradiation growth and creep

DOE PAGES

Patra, Anirban; Tomé, Carlos N.

2017-03-06

A physically-based crystal plasticity framework for modeling irradiation growth and creep is interfaced with the finite element code ABAQUS in order to study the contact forces and the gap evolution between the spacer grid and the cladding tube as a function of irradiation in a representative section of a fuel rod assembly. Deformation mechanisms governing the gap opening are identified and correlated to the texture-dependent material response. Thus, in the absence of coolant flow-induced vibrations, these simulations predict the contribution of irradiation growth and creep to the gap opening between the cladding tube and the springs and dimples on themore » spacer grid. The simulated contact forces on the springs and dimples are compared to available experimental and modeling data. Various combinations of external loads are applied on the springs and dimples to simulate fuel rods in the interior and at the periphery of the fuel rod assembly. Furthermore, we found that loading conditions representative (to a first order approximation) of fuel rods at the periphery show higher gap opening. This is in agreement with in-reactor data, where rod leakages due to the synergistic effects of gap opening and coolant flow-induced vibrations were generally found to occur at the periphery of the fuel rod assembly.« less

Broken symmetries, zero-energy modes, and quantum transport in disordered graphene: from supermetallic to insulating regimes.

PubMed

Cresti, Alessandro; Ortmann, Frank; Louvet, Thibaud; Van Tuan, Dinh; Roche, Stephan

2013-05-10

The role of defect-induced zero-energy modes on charge transport in graphene is investigated using Kubo and Landauer transport calculations. By tuning the density of random distributions of monovacancies either equally populating the two sublattices or exclusively located on a single sublattice, all conduction regimes are covered from direct tunneling through evanescent modes to mesoscopic transport in bulk disordered graphene. Depending on the transport measurement geometry, defect density, and broken sublattice symmetry, the Dirac-point conductivity is either exceptionally robust against disorder (supermetallic state) or suppressed through a gap opening or by algebraic localization of zero-energy modes, whereas weak localization and the Anderson insulating regime are obtained for higher energies. These findings clarify the contribution of zero-energy modes to transport at the Dirac point, hitherto controversial.

ADMS State of the Industry and Gap Analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Agalgaonkar, Yashodhan P.; Marinovici, Maria C.; Vadari, Subramanian V.

2016-03-31

An Advanced distribution management system (ADMS) is a platform for optimized distribution system operational management. This platform comprises of distribution management system (DMS) applications, supervisory control and data acquisition (SCADA), outage management system (OMS), and distributed energy resource management system (DERMS). One of the primary objectives of this work is to study and analyze several ADMS component and auxiliary systems. All the important component and auxiliary systems, SCADA, GISs, DMSs, AMRs/AMIs, OMSs, and DERMS, are discussed in this report. Their current generation technologies are analyzed, and their integration (or evolution) with an ADMS technology is discussed. An ADMS technology statemore » of the art and gap analysis is also presented. There are two technical gaps observed. The integration challenge between the component operational systems is the single largest challenge for ADMS design and deployment. Another significant challenge noted is concerning essential ADMS applications, for instance, fault location, isolation, and service restoration (FLISR), volt-var optimization (VVO), etc. There are a relatively small number of ADMS application developers as ADMS software platform is not open source. There is another critical gap and while not being technical in nature (when compared the two above) is still important to consider. The data models currently residing in utility GIS systems are either incomplete or inaccurate or both. This data is essential for planning and operations because it is typically one of the primary sources from which power system model are created. To achieve the full potential of ADMS, the ability to execute acute Power Flow solution is an important pre-requisite. These critical gaps are hindering wider Utility adoption of an ADMS technology. The development of an open architecture platform can eliminate many of these barriers and also aid seamless integration of distribution Utility legacy systems with an ADMS.« less

Open magnetic fields in active regions

NASA Technical Reports Server (NTRS)

Svestka, Z.; Solodyna, C. V.; Howard, R.; Levine, R. H.

1977-01-01

Soft X-ray images and magnetograms of several active regions and coronal holes are examined which support the interpretation that some of the dark X-ray gaps seen between interconnecting loops and inner cores of active regions are foot points of open field lines inside the active regions. Characteristics of the investigated dark gaps are summarized. All the active regions with dark X-ray gaps at the proper place and with the correct polarity predicted by global potential extrapolation of photospheric magnetic fields are shown to be old active regions, indicating that field opening is accomplished only in a late phase of active-region development. It is noted that some of the observed dark gaps probably have nothing in common with open fields, but are either due to the decreased temperature in low-lying portions of interconnecting loops or are the roots of higher and less dense or cooler loops.

Tuning the properties of tin oxide thin films for device fabrications

NASA Astrophysics Data System (ADS)

Sudha, A.; Sharma, S. L.; Gupta, A. N.; Sharma, S. D.

2017-11-01

Tin oxide thin films were deposited on well cleaned glass substrates by thermal evaporation in vacuum and were annealed at 500 ∘C in the open atmosphere inside a furnace for 90 min for promoting the sensitivity of the films. The X-ray diffraction studies revealed that the as-deposited films were amorphous in nature and the annealed films showed appreciable crystalline behavior. The annealed thin films were then irradiated using 60Co gamma source. The radiation induced changes were then studied by X-ray diffraction, scanning electron microscopy, UV-vis spectroscopy and I- V characterization. The remarkable increase in the average grain size, the decrement in the energy band gap and resistivity due to the gamma irradiations up to a certain dose and the reversal of these properties at higher doses are the important observations. The large changes in the conductivity and energy band gap of the annealed thin films due to gamma irradiation make these films quite important device material for the fabrication of gamma sensors and dosimeters.

Symmetries and band gaps in nanoribbons

NASA Astrophysics Data System (ADS)

Zhang, Zhiwei; Tian, Yiteng; Fernando, Gayanath; Kocharian, Armen

In ideal graphene-like systems, time reversal and sublattice symmetries preserve the degeneracies at the Dirac point(s). We have examined such degeneracies in the band structure as well as the transport properties in various arm-twisted (graphene-related) nanoribbons. A twist angle is defined such that at 0 degrees the ribbon is a rectangular ribbon and at 60 degrees the ribbon is cut from a honeycomb lattice. Using model Hamiltonians and first principles calculations in these nanoribbons with Z2 topology, we have monitored the band structure as a function of the twist angle θ. In twisted ribbons, it turns out that the introduction of an extra hopping term leads to a gap opening. We have also calculated the size and temperature broadening effects in similar ribbons in addition to Rashba-induced transport properties. The authors acknowledge the computing facilities provided by the Center for Functional Nanomaterials, Brookhaven National Laboratory supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under Contract No.DE-AC02- 98CH10886.

Influence of oxygen impurity on electronic properties of carbon and boron nitride nanotubes: A comparative study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Singh, Ram Sevak, E-mail: singh915@gmail.com

2015-11-15

Influence of oxygen impurity on electronic properties of carbon and boron nitride nanotubes (CNTs and BNNTs) is systematically studied using first principle calculations based on density functional theory. Energy band structures and density of states of optimized zigzag (5, 0), armchair (3, 3), and chiral (4, 2) structures of CNT and BNNT are calculated. Oxygen doping in zigzag CNT exhibits a reduction in metallicity with opening of band gap in near-infrared region while metallicity is enhanced in armchair and chiral CNTs. Unlike oxygen-doped CNTs, energy bands are drastically modulated in oxygen-doped zigzag and armchair BNNTs, showing the nanotubes to havemore » metallic behaviour. Furthermore, oxygen impurity in chiral BNNT induces narrowing of band gap, indicating a gradual modification of electronic band structure. This study underscores the understanding of different electronic properties induced in CNTs and BNNTs under oxygen doping, and has potential in fabrication of various nanoelectronic devices.« less

Topological magnetic phase in LaMnO3 (111) bilayer

NASA Astrophysics Data System (ADS)

Weng, Yakui; Huang, Xin; Yao, Yugui; Dong, Shuai

2015-11-01

Candidates for correlated topological insulators, originated from the spin-orbit coupling as well as the Hubbard-type correlation, are expected in the (111) bilayer of perovskite-structural transition-metal oxides. Based on the first-principles calculation and tight-binding model, the electronic structure of a LaMnO3 (111) bilayer sandwiched in LaScO3 barriers has been investigated. For the ideal undistorted perovskite structure, the Fermi energy of LaMnO3 (111) bilayer just stays at the Dirac point, rendering a semimetal (graphenelike) which is also a half metal [different from graphene or the previously studied LaNiO3 (111) bilayer]. The Dirac cone can be opened by the spin-orbit coupling, giving rise to nontrivial topological bands corresponding to the (quantized) anomalous Hall effect. For the realistic orthorhombic distorted lattice, the Dirac point moves with increasing Hubbard repulsion (or equivalent Jahn-Teller distortion). Finally, a Mott gap opens, establishing a phase boundary between the Mott insulator and topological magnetic insulator. Our calculation finds that the gap opened by spin-orbit coupling is much smaller in the orthorhombic distorted lattice (˜1.7 meV) than the undistorted one (˜11 meV). Therefore, to suppress the lattice distortion can be helpful to enhance the robustness of the topological phase in perovskite (111) bilayers.

An opening criterion for dust gaps in protoplanetary discs

NASA Astrophysics Data System (ADS)

Dipierro, Giovanni; Laibe, Guillaume

2017-08-01

We aim to understand under which conditions a low-mass planet can open a gap in viscous dusty protoplanetary discs. For this purpose, we extend the theory of dust radial drift to include the contribution from the tides of an embedded planet and from the gas viscous forces. From this formalism, we derive (I) a grain-size-dependent criterion for dust gap opening in discs, (II) an estimate of the location of the outer edge of the dust gap and (III) an estimate of the minimum Stokes number above which low-mass planets are able to carve gaps that appear only in the dust disc. These analytical estimates are particularly helpful to appraise the minimum mass of a hypothetical planet carving gaps in discs observed at long wavelengths and high resolution. We validate the theory against 3D smoothed particle hydrodynamics simulations of planet-disc interaction in a broad range of dusty protoplanetary discs. We find a remarkable agreement between the theoretical model and the numerical experiments.

Ab initio studies of Th3N4, Th2N3 and Th2N2(NH)

NASA Astrophysics Data System (ADS)

Obodo, K. O.; Chetty, N.

2014-09-01

Using density functional theory within the Perdew-Burke-Ernzerhof generalized gradient approximation [GGA (PBE)] implemented in the VASP codes, we investigate the structural, elastic and electronic properties of Th3N4, Th2N3 and Th2N2(NH). The calculated structural properties of these thorium-based nitrides are in good agreement with experimental data. We observe that all the Th-N based compounds that we considered are energetically favorable and elastically stable. We find that Th3N4 is semiconducting with a band gap of 1.59 eV, which compares well with the experimental band gap of 1.7 eV and we find Th2N3 to be metallic. Th2N2(NH), which is crystallographically equivalent to Th2N3, is insulating with a band gap of 2.12 eV. This is due to the -(NH) group that effects a shifting of the energy bands that results in the opening of a gap at the Fermi-level. The Th-N based compounds that we considered are predominantly ionic.

Novel band structures in silicene on monolayer zinc sulfide substrate.

PubMed

Li, Sheng-shi; Zhang, Chang-wen; Yan, Shi-shen; Hu, Shu-jun; Ji, Wei-xiao; Wang, Pei-ji; Li, Ping

2014-10-01

Opening a sizable band gap in the zero-gap silicene without lowering the carrier mobility is a key issue for its application in nanoelectronics. Based on first-principles calculations, we find that the interaction energies are in the range of -0.09‒0.3 eV per Si atom, indicating a weak interaction between silicene and ZnS monolayer and the ABZn stacking is the most stable pattern. The band gap of silicene can be effectively tuned ranging from 0.025 to 1.05 eV in silicene and ZnS heterobilayer (Si/ZnS HBL). An unexpected indirect-direct band gap crossover is also observed in HBLs, dependent on the stacking pattern, interlayer spacing and external strain effects on silicene. Interestingly, the characteristics of Dirac cone with a nearly linear band dispersion relation of silicene can be preserved in the ABS pattern which is a metastable state, accompanied by a small electron effective mass and thus the carrier mobility is expected not to degrade much. These provide a possible way to design effective FETs out of silicene on a ZnS monolayer.

Study of radiative heat transfer in Ångström- and nanometre-sized gaps

DOE PAGES

Cui, Longji; Jeong, Wonho; Fernández-Hurtado, Víctor; ...

2017-02-15

Radiative heat transfer in Ångström- and nanometre-sized gaps is of great interest because of both its technological importance and open questions regarding the physics of energy transfer in this regime. Here in this paper we report studies of radiative heat transfer in few Å to 5nm gap sizes, performed under ultrahigh vacuum conditions between a Au-coated probe featuring embedded nanoscale thermocouples and a heated planar Au substrate that were both subjected to various surface-cleaning procedures. By drawing on the apparent tunnelling barrier height as a signature of cleanliness, we found that upon systematically cleaning via a plasma or locally pushingmore » the tip into the substrate by a few nanometres, the observed radiative conductances decreased from unexpectedly large values to extremely small ones—below the detection limit of our probe—as expected from our computational results. Our results show that it is possible to avoid the confounding effects of surface contamination and systematically study thermal radiation in Ångström- and nanometre-sized gaps.« less

KSC-2013-2485

NASA Image and Video Library

2013-05-29

VANDENBERG AFB, Calif. - An Orbital Sciences Pegasus XL rocket undergoes launch preparations inside a hangar at Vandenberg Air Force Base for NASA's IRIS mission, short for Interface Region Imaging Spectrograph. Scheduled for launch from Vandenberg June 26, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: NASA/Randy Beaudoin

KSC-2013-2486

NASA Image and Video Library

2013-05-29

VANDENBERG AFB, Calif. - An Orbital Sciences Pegasus XL rocket undergoes launch preparations inside a hangar at Vandenberg Air Force Base for NASA's IRIS mission, short for Interface Region Imaging Spectrograph. Scheduled for launch from Vandenberg June 26, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: NASA/Randy Beaudoin

Interaction-induced shift of the cyclotron resonance of graphene using infrared spectroscopy.

PubMed

Henriksen, E A; Cadden-Zimansky, P; Jiang, Z; Li, Z Q; Tung, L-C; Schwartz, M E; Takita, M; Wang, Y-J; Kim, P; Stormer, H L

2010-02-12

We report a study of the cyclotron resonance (CR) transitions to and from the unusual n=0 Landau level (LL) in monolayer graphene. Unexpectedly, we find the CR transition energy exhibits large (up to 10%) and nonmonotonic shifts as a function of the LL filling factor, with the energy being largest at half filling of the n=0 level. The magnitude of these shifts, and their magnetic field dependence, suggests that an interaction-enhanced energy gap opens in the n=0 level at high magnetic fields. Such interaction effects normally have a limited impact on the CR due to Kohn's theorem [W. Kohn, Phys. Rev. 123, 1242 (1961)], which does not apply in graphene as a consequence of the underlying linear band structure.

Electrical Components for Marine Renewable Energy Arrays: A Techno-Economic Review

DOE PAGES

Collin, Adam J.; Nambiar, Anup J.; Bould, David; ...

2017-11-27

This paper presents a review of the main electrical components that are expected to be present in marine renewable energy arrays. The review is put in context by appraising the current needs of the industry and identifying the key components required in both device and array-scale developments. For each component, electrical, mechanical and cost considerations are discussed; with quantitative data collected during the review made freely available for use by the community via an open access online repository. Here, this data collection updates previous research and addresses gaps specific to emerging offshore technologies, such as marine and floating wind, andmore » provides a comprehensive resource for the techno-economic assessment of offshore energy arrays.« less

Electrical Components for Marine Renewable Energy Arrays: A Techno-Economic Review

DOE Office of Scientific and Technical Information (OSTI.GOV)

Collin, Adam J.; Nambiar, Anup J.; Bould, David

This paper presents a review of the main electrical components that are expected to be present in marine renewable energy arrays. The review is put in context by appraising the current needs of the industry and identifying the key components required in both device and array-scale developments. For each component, electrical, mechanical and cost considerations are discussed; with quantitative data collected during the review made freely available for use by the community via an open access online repository. Here, this data collection updates previous research and addresses gaps specific to emerging offshore technologies, such as marine and floating wind, andmore » provides a comprehensive resource for the techno-economic assessment of offshore energy arrays.« less

Energy Gap in the Aetiology of Body Weight Gain and Obesity: A Challenging Concept with a Complex Evaluation and Pitfalls

PubMed Central

Schutz, Yves; Byrne, Nuala M.; Dulloo, Abdul; Hills, Andrew P.

2014-01-01

The concept of energy gap(s) is useful for understanding the consequence of a small daily, weekly, or monthly positive energy balance and the inconspicuous shift in weight gain ultimately leading to overweight and obesity. Energy gap is a dynamic concept: an initial positive energy gap incurred via an increase in energy intake (or a decrease in physical activity) is not constant, may fade out with time if the initial conditions are maintained, and depends on the ‘efficiency’ with which the readjustment of the energy imbalance gap occurs with time. The metabolic response to an energy imbalance gap and the magnitude of the energy gap(s) can be estimated by at least two methods, i.e. i) assessment by longitudinal overfeeding studies, imposing (by design) an initial positive energy imbalance gap; ii) retrospective assessment based on epidemiological surveys, whereby the accumulated endogenous energy storage per unit of time is calculated from the change in body weight and body composition. In order to illustrate the difficulty of accurately assessing an energy gap we have used, as an illustrative example, a recent epidemiological study which tracked changes in total energy intake (estimated by gross food availability) and body weight over 3 decades in the US, combined with total energy expenditure prediction from body weight using doubly labelled water data. At the population level, the study attempted to assess the cause of the energy gap purported to be entirely due to increased food intake. Based on an estimate of change in energy intake judged to be more reliable (i.e. in the same study population) and together with calculations of simple energetic indices, our analysis suggests that conclusions about the fundamental causes of obesity development in a population (excess intake vs. low physical activity or both) is clouded by a high level of uncertainty. PMID:24457473

Energy gap in the aetiology of body weight gain and obesity: a challenging concept with a complex evaluation and pitfalls.

PubMed

Schutz, Yves; Byrne, Nuala M; Dulloo, Abdul; Hills, Andrew P

2014-01-01

The concept of energy gap(s) is useful for understanding the consequence of a small daily, weekly, or monthly positive energy balance and the inconspicuous shift in weight gain ultimately leading to overweight and obesity. Energy gap is a dynamic concept: an initial positive energy gap incurred via an increase in energy intake (or a decrease in physical activity) is not constant, may fade out with time if the initial conditions are maintained, and depends on the 'efficiency' with which the readjustment of the energy imbalance gap occurs with time. The metabolic response to an energy imbalance gap and the magnitude of the energy gap(s) can be estimated by at least two methods, i.e. i) assessment by longitudinal overfeeding studies, imposing (by design) an initial positive energy imbalance gap; ii) retrospective assessment based on epidemiological surveys, whereby the accumulated endogenous energy storage per unit of time is calculated from the change in body weight and body composition. In order to illustrate the difficulty of accurately assessing an energy gap we have used, as an illustrative example, a recent epidemiological study which tracked changes in total energy intake (estimated by gross food availability) and body weight over 3 decades in the US, combined with total energy expenditure prediction from body weight using doubly labelled water data. At the population level, the study attempted to assess the cause of the energy gap purported to be entirely due to increased food intake. Based on an estimate of change in energy intake judged to be more reliable (i.e. in the same study population) and together with calculations of simple energetic indices, our analysis suggests that conclusions about the fundamental causes of obesity development in a population (excess intake vs. low physical activity or both) is clouded by a high level of uncertainty. © 2014 S. Karger GmbH, Freiburg.

Adsorbing H₂S onto a single graphene sheet: A possible gas sensor

DOE Office of Scientific and Technical Information (OSTI.GOV)

Reshak, A. H., E-mail: maalidph@yahoo.co.uk; Center of Excellence Geopolymer and Green Technology, School of Material Engineering, University Malaysia Perlis, 01007 Kangar, Perlis; Auluck, S.

2014-09-14

The electronic structure of pristine graphene sheet and the resulting structure of adsorbing a single molecule of H₂S on pristine graphene in three different sites (bridge, top, and hollow) are studied using the full potential linearized augmented plane wave method. Our calculations show that the adsorption of H₂S molecule on the bridge site opens up a small direct energy gap of about 0.1 eV at symmetry point M, while adsorption of H₂S on top site opens a gap of 0.3 eV around the symmetry point K. We find that adsorbed H₂S onto the hollow site of pristine graphene sheet causesmore » to push the conduction band minimum and the valence band maximum towards Fermi level resulting in a metallic behavior. Comparing the angular momentum decomposition of the atoms projected electronic density of states of pristine graphene sheet with that of H₂S–graphene for three different cases, we find a significant influence of the location of the H₂S molecule on the electronic properties especially the strong hybridization between H₂S molecule and graphene sheet.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhu Zhaohuan; Dong Ruobing; Nelson, Richard P.

By carrying out two-dimensional two-fluid global simulations, we have studied the response of dust to gap formation by a single planet in the gaseous component of a protoplanetary disk-the so-called dust filtration mechanism. We have found that a gap opened by a giant planet at 20 AU in an {alpha} = 0.01, M-dot =10{sup -8} M{sub Sun} yr{sup -1} disk can effectively stop dust particles larger than 0.1 mm drifting inward, leaving a submillimeter (submm) dust cavity/hole. However, smaller particles are difficult to filter by a gap induced by a several M{sub J} planet due to (1) dust diffusion andmore » (2) a high gas accretion velocity at the gap edge. Based on these simulations, an analytic model is derived to understand what size particles can be filtered by the planet-induced gap edge. We show that a dimensionless parameter T{sub s} /{alpha}, which is the ratio between the dimensionless dust stopping time and the disk viscosity parameter, is important for the dust filtration process. Finally, with our updated understanding of dust filtration, we have computed Monte Carlo radiative transfer models with variable dust size distributions to generate the spectral energy distributions of disks with gaps. By comparing with transitional disk observations (e.g., GM Aur), we have found that dust filtration alone has difficulties depleting small particles sufficiently to explain the near-IR deficit of moderate M-dot transitional disks, except under some extreme circumstances. The scenario of gap opening by multiple planets studied previously suffers the same difficulty. One possible solution is to invoke both dust filtration and dust growth in the inner disk. In this scenario, a planet-induced gap filters large dust particles in the disk, and the remaining small dust particles passing to the inner disk can grow efficiently without replenishment from fragmentation of large grains. Predictions for ALMA have also been made based on all these scenarios. We conclude that dust filtration with planet(s) in the disk is a promising mechanism to explain submm observations of transitional disks but it may need to be combined with other processes (e.g., dust growth) to explain the near-IR deficit of some systems.« less

Binary-disk interaction. II. Gap-opening criteria for unequal-mass binaries

DOE Office of Scientific and Technical Information (OSTI.GOV)

Del Valle, Luciano; Escala, Andrés, E-mail: ldelvalleb@gmail.com

We study the interaction of an unequal-mass binary with an isothermal circumbinary disk, motivated by the theoretical and observational evidence that after a major merger of gas-rich galaxies, a massive gaseous disk with a supermassive black hole binary will be formed in the nuclear region. We focus on the gravitational torques that the binary exerts on the disk and how these torques can drive the formation of a gap in the disk. This exchange of angular momentum between the binary and the disk is mainly driven by the gravitational interaction between the binary and a strong nonaxisymmetric density perturbation thatmore » is produced in the disk, in response to the presence of the binary. Using smoothed particle hydrodynamics numerical simulations, we test two gap-opening criteria, one that assumes the geometry of the density perturbation is an ellipsoid/thick spiral and another that assumes a flat spiral geometry for the density perturbation. We find that the flat spiral gap-opening criterion successfully predicts which simulations will have a gap in the disk and which will not. We also study the limiting cases predicted by the gap-opening criteria. Since the viscosity in our simulations is considerably smaller than the expected value in the nuclear regions of gas-rich merging galaxies, we conclude that in such environments the formation of a circumbinary gap is unlikely.« less

System design of a small OpenPET prototype with 4-layer DOI detectors.

PubMed

Yoshida, Eiji; Kinouchi, Shoko; Tashima, Hideaki; Nishikido, Fumihiko; Inadama, Naoko; Murayama, Hideo; Yamaya, Taiga

2012-01-01

We have proposed an OpenPET geometry which consists of two axially separated detector rings. The open gap is suitable for in-beam PET. We have developed the small prototype of the OpenPET especially for a proof of concept of in-beam imaging. This paper presents an overview of the main features implemented in this prototype. We also evaluated the detector performance. This prototype was designed with 2 detector rings having 8 depth-of-interaction detectors. Each detector consisted of 784 Lu(2x)Gd(2(1-x))SiO₅:Ce (LGSO) which were arranged in a 4-layer design, coupled to a position-sensitive photomultiplier tube (PS-PMT). The size of the LGSO array was smaller than the sensitive area of the PS-PMT, so that we could obtain sufficient LGSO identification. Peripheral LGSOs near the open gap directly detect the gamma rays on the side face in the OpenPET geometry. Output signals of two detectors stacked axially were projected onto one 2-dimensional position histogram for reduction of the scale of a coincidence processor. Front-end circuits were separated from the detector head by 1.2-m coaxial cables for the protection of electronic circuits from radiation damage. The detectors had sufficient crystal identification capability. Cross talk between the combined two detectors could be ignored. The timing and energy resolutions were 3.0 ns and 14%, respectively. The coincidence window was set 20 ns, because the timing histogram showed that not only the main peak, but also two small shifted peaks were caused by the coaxial cable. However, the detector offers the promise of sufficient performance, because random coincidences are at a nearly undetectable level for in-beam PET experiments.

What an open source clinical trial community can learn from hackers

PubMed Central

Dunn, Adam G.; Day, Richard O.; Mandl, Kenneth D.; Coiera, Enrico

2014-01-01

Summary Open sharing of clinical trial data has been proposed as a way to address the gap between the production of clinical evidence and the decision-making of physicians. Since a similar gap has already been addressed in the software industry by the open source software movement, we examine how the social and technical principles of the movement can be used to guide the growth of an open source clinical trial community. PMID:22553248

The Studies of a Vacuum Gap Breakdown after High-Current Arc Interruption with Increasing the Voltage

NASA Astrophysics Data System (ADS)

Schneider, A. V.; Popov, S. A.; Batrakov, A. V.; Dubrovskaya, E. L.; Lavrinovich, V. A.

2017-12-01

Vacuum-gap breakdown has been studied after high-current arc interruption with a subsequent increase in the transient recovery voltage across a gap. The effects of factors, such as the rate of the rise in the transient voltage, the potential of the shield that surrounds a discharge gap, and the arc burning time, have been determined. It has been revealed that opening the contacts earlier leads to the formation of an anode spot, which is the source of electrode material vapors into the discharge gap after current zero moment. Under the conditions of increasing voltage, this fact results in the breakdown. Too late opening leads to the breakdown of a short gap due to the high electric fields.

Fabrication and characterization of multiband solar cells based on highly mismatched alloys

NASA Astrophysics Data System (ADS)

López, N.; Braña, A. F.; García Núñez, C.; Hernández, M. J.; Cervera, M.; Martínez, M.; Yu, K. M.; Walukiewicz, W.; García, B. J.

2015-10-01

Multiband solar cells are one type of third generation photovoltaic devices in which an increase of the power conversion efficiency is achieved through the absorption of low energy photons while preserving a large band gap that determines the open circuit voltage. The ability to absorb photons from different parts of the solar spectrum originates from the presence of an intermediate energy band located within the band gap of the material. This intermediate band, acting as a stepping stone allows the absorption of low energy photons to transfer electrons from the valence band to the conduction band by a sequential two photons absorption process. It has been demonstrated that highly mismatched alloys offer a potential to be used as a model material system for practical realization of multiband solar cells. Dilute nitride GaAs1-xNx highly mismatched alloy with low mole fraction of N is a prototypical multiband semiconductor with a well-defined intermediate band. Currently, we are using chemical beam epitaxy to synthesize dilute nitride highly mismatched alloys. The materials are characterized by a variety of structural and optical methods to optimize their properties for multiband photovoltaic devices.

Origin of Non-Radiative Voltage Losses in Fullerene-Based Organic Solar Cells

NASA Astrophysics Data System (ADS)

Benduhn, Johannes; Tvingstedt, Kristofer; Piersimoni, Fortunato; Ullbrich, Sascha; Neher, Dieter; Spoltore, Donato; Vandewal, Koen

The open-circuit voltage of organic solar cells (OSCs) is low as compared to the optical gap of the absorber molecules, indicating high energy losses per absorbed photon. These voltage losses arise only partly due to necessity of an electron transfer event to dissociate the excitons. A large part of these voltage losses is due to recombination of photo-generated charge carriers, including inevitable radiative recombination. In this work, we study the non-radiative recombination losses and we find that they increase when the energy difference between charge transfer (CT) state and ground state decreases. This behavior is in agreement with the \\x9Denergy gap law for non-radiative transition\\x9D, which implies that internal conversion from CT state to ground state is facilitated by skeletal molecular vibrations. This intrinsic loss mechanism, which until now has not been thoroughly considered for OSCs, is different in its nature as compared to the commonly considered inorganic photovoltaic loss mechanisms of defect, surface, and Auger recombination. As a consequence, the theoretical upper limit for the power conversion efficiency of a single junction OSC reduces by 25% as compared to the Shockley-Queisser limit for an optimal optical gap of the main absorber between (1.45-1.65) eV.

6-7 Mev Characteristic Gamma-Ray Source Using A Plasma Opening Switch And A Marx Bank

DTIC Science & Technology

2011-06-01

of Hawk, including the POS, is shown in Fig. 2a. The POS consists of 12 plasma guns made from coaxial cables that inject ionized plasma radially...inward between two coaxial conductors prior to firing the generator. The POS plasma conducts the generator current as a short circuit for about 700...vacuum gap in the plasma . High-energy electron- and ion-beams form in the plasma -filled coaxial region, with ions from the plasma and the polyethylene

PAD-US: National Inventory of Protected Areas

USGS Publications Warehouse

Gergely, Kevin J.; McKerrow, Alexa

2013-11-12

The Gap Analysis Program produces data and tools that help meet critical national challenges such as biodiversity conservation, renewable energy development, climate change adaptation, and infrastructure investment. The Protected Areas Database of the United States (PAD-US) is the official inventory of protected open space in the United States. With over 715 million acres in thousands of holdings, the spatial data in PAD-US include public lands held in trust by national, State, and some local governments, and by some nonprofit conservation organizations.

Controlling the Electronic Structure of Graphene Using Surface-Adsorbate Interactions

DTIC Science & Technology

2015-07-21

after adsorption of Na the propensity of graphene bonding to Ni is much lower due to reduced overlap of atomic orbitals, which results from n- doping of...subse- quent intercalation of the Na underneath graphene. The ability to partially decouple graphene from a Ni substrate via n- doping (with or without...interactions with the substrate or adsorbates, which can modify the energy of the Dirac cone through doping , or cause a band gap to open at the K

Boron doped simulated graphene field effect transistor model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sharma, Preetika, E-mail: preetikamadhav@yahoo.co.in; Gupta, Shuchi, E-mail: sgupta@pu.ac.in; Kaur, Inderpreet, E-mail: inderpreety@yahoo.co.in

2016-05-06

Graphene based electronic devices due to its unique properties has transformed electronics. A Graphene Field Effect Transistor (GNRFET) model is simulated in Virtual Nano Lab (VNL) and the calculations are based on density functional theory (DFT). Simulations were performed on this pristine GNRFET model and the transmission spectrum was observed. The graph obtained showed a uniform energy gap of +1 to −1eV and the highest transmission peak at −1.75 eV. To this pristine model of GNRFET, doping was introduced and its effect was seen on the Fermi level obtained in the transmission spectrum. Boron as a dopant was used whichmore » showed variations in both the transmission peaks and the energy gap. In this model, first the single boron was substituted in place of carbon and Fermi level showed an energy gap of 1.5 to −0.5eV with the highest transmission peak at −1.3 eV. In another variation in the model, two carbon atoms were replaced by two boron atoms and Fermi level shifted from 2 to 0.25eV. In this observation, the highest transmission peak was observed at −1(approx.). The use of nanoelectronic devices have opened many areas of applications as GFET is an excellent building block for electronic circuits, and is being used in applications such as high-performance frequency doublers and mixers, digital modulators, phase detectors, optoelectronics and spintronics.« less

Opening complete band gaps in two dimensional locally resonant phononic crystals

NASA Astrophysics Data System (ADS)

Zhou, Xiaoling; Wang, Longqi

2018-05-01

Locally resonant phononic crystals (LRPCs) which have low frequency band gaps attract a growing attention in both scientific and engineering field recently. Wide complete locally resonant band gaps are the goal for researchers. In this paper, complete band gaps are achieved by carefully designing the geometrical properties of the inclusions in two dimensional LRPCs. The band structures and mechanisms of different types of models are investigated by the finite element method. The translational vibration patterns in both the in-plane and out-of-plane directions contribute to the full band gaps. The frequency response of the finite periodic structures demonstrate the attenuation effects in the complete band gaps. Moreover, it is found that the complete band gaps can be further widened and lowered by increasing the height of the inclusions. The tunable properties by changing the geometrical parameters provide a good way to open wide locally resonant band gaps.

Gapped two-body Hamiltonian for continuous-variable quantum computation.

PubMed

Aolita, Leandro; Roncaglia, Augusto J; Ferraro, Alessandro; Acín, Antonio

2011-03-04

We introduce a family of Hamiltonian systems for measurement-based quantum computation with continuous variables. The Hamiltonians (i) are quadratic, and therefore two body, (ii) are of short range, (iii) are frustration-free, and (iv) possess a constant energy gap proportional to the squared inverse of the squeezing. Their ground states are the celebrated Gaussian graph states, which are universal resources for quantum computation in the limit of infinite squeezing. These Hamiltonians constitute the basic ingredient for the adiabatic preparation of graph states and thus open new venues for the physical realization of continuous-variable quantum computing beyond the standard optical approaches. We characterize the correlations in these systems at thermal equilibrium. In particular, we prove that the correlations across any multipartition are contained exactly in its boundary, automatically yielding a correlation area law.

Semiconducting behavior of substitutionally doped bilayer graphene

NASA Astrophysics Data System (ADS)

Mousavi, Hamze; Khodadadi, Jabbar; Grabowski, Marek

2018-02-01

In the framework of the Green's functions approach, random tight-binding model and using the coherent potential approximation, electronic characteristics of the bilayer graphene are investigated by exploring various forms of substitutional doping of a single or both layers of the system by either boron and (or) nitrogen atoms. The results for displacement of the Fermi level resemble the behavior of acceptor or donor doping in a conventional semiconductor, dependent on the impurity type and concentration. The particular pattern of doping of just one layer with one impurity type is most efficient for opening a gap within the energy bands which could be tuned directly by impurity concentration. Doping both layers at the same time, each with one impurity type, leads to an anomaly whereby the gap decreases with increasing impurity concentration.

Momentum-resolved hidden-order gap reveals symmetry breaking and origin of entropy loss in URu2Si2

NASA Astrophysics Data System (ADS)

Bareille, C.; Boariu, F. L.; Schwab, H.; Lejay, P.; Reinert, F.; Santander-Syro, A. F.

2014-07-01

Spontaneous symmetry breaking in physical systems leads to salient phenomena at all scales, from the Higgs mechanism and the emergence of the mass of the elementary particles, to superconductivity and magnetism in solids. The hidden-order state arising below 17.5 K in URu2Si2 is a puzzling example of one of such phase transitions: its associated broken symmetry and gap structure have remained longstanding riddles. Here we directly image how, across the hidden-order transition, the electronic structure of URu2Si2 abruptly reconstructs. We observe an energy gap of 7 meV opening over 70% of a large diamond-like heavy-fermion Fermi surface, resulting in the formation of four small Fermi petals, and a change in the electronic periodicity from body-centred tetragonal to simple tetragonal. Our results explain the large entropy loss in the hidden-order phase, and the similarity between this phase and the high-pressure antiferromagnetic phase found in quantum-oscillation experiments.

Competing Gap Opening Mechanisms of Monolayer Graphene and Graphene Nanoribbons on Strong Topological Insulators.

PubMed

Lin, Zhuonan; Qin, Wei; Zeng, Jiang; Chen, Wei; Cui, Ping; Cho, Jun-Hyung; Qiao, Zhenhua; Zhang, Zhenyu

2017-07-12

Graphene is a promising material for designing next-generation electronic and valleytronic devices, which often demand the opening of a bandgap in the otherwise gapless pristine graphene. To date, several conceptually different mechanisms have been extensively exploited to induce bandgaps in graphene, including spin-orbit coupling and inversion symmetry breaking for monolayer graphene, and quantum confinement for graphene nanoribbons (GNRs). Here, we present a multiscale study of the competing gap opening mechanisms in a graphene overlayer and GNRs proximity-coupled to topological insulators (TIs). We obtain sizable graphene bandgaps even without inversion symmetry breaking and identify the Kekulé lattice distortions caused by the TI substrates to be the dominant gap opening mechanism. Furthermore, Kekulé distorted armchair GNRs display intriguing nonmonotonous gap dependence on the nanoribbon width, resulting from the coexistence of quantum confinement, edge passivation, and Kekulé distortions. The present study offers viable new approaches for tunable bandgap engineering in graphene and GNRs.

Creation of quasi-Dirac points in the Floquet band structure of bilayer graphene.

PubMed

Cheung, W M; Chan, K S

2017-06-01

We study the Floquet quasi-energy band structure of bilayer graphene when it is illuminated by two laser lights with frequencies [Formula: see text] and [Formula: see text] using Floquet theory. We focus on the dynamical gap formed by the conduction band with Floquet index  =  -1 and the valence band with Floquet index  =  +1 to understand how Dirac points can be formed. It is found that the dynamical gap does not have rotation symmetry in the momentum space, and quasi-Dirac points, where the conduction and valence bands almost touch, can be created when the dynamical gap closes along some directions with suitably chosen radiation parameters. We derive analytical expressions for the direction dependence of the dynamical gaps using Lowdin perturbation theory to gain a better understanding of the formation of quasi-Dirac points. When both radiations are circularly polarized, the gap can be exactly zero along some directions, when only the first and second order perturbations are considered. Higher order perturbations can open a very small gap in this case. When both radiations are linearly polarized, the gap can be exactly zero up to the fourth order perturbation and more than one quasi-Dirac point is formed. We also study the electron velocity around a dynamical gap and show that the magnitude of the velocity drops to values close to zero when the k vector is near to the gap minimum. The direction of the velocity also changes around the gap minimum, and when the gap is larger in value the change in the velocity direction is more gradual. The warping effect does not affect the formation of a Dirac point along the k x axis, while it prevents its formation when there is phase shift between the two radiations.

Tunable and sizable band gap in silicene by surface adsorption

PubMed Central

Quhe, Ruge; Fei, Ruixiang; Liu, Qihang; Zheng, Jiaxin; Li, Hong; Xu, Chengyong; Ni, Zeyuan; Wang, Yangyang; Yu, Dapeng; Gao, Zhengxiang; Lu, Jing

2012-01-01

Opening a sizable band gap without degrading its high carrier mobility is as vital for silicene as for graphene to its application as a high-performance field effect transistor (FET). Our density functional theory calculations predict that a band gap is opened in silicene by single-side adsorption of alkali atom as a result of sublattice or bond symmetry breaking. The band gap size is controllable by changing the adsorption coverage, with an impressive maximum band gap up to 0.50 eV. The ab initio quantum transport simulation of a bottom-gated FET based on a sodium-covered silicene reveals a transport gap, which is consistent with the band gap, and the resulting on/off current ratio is up to 108. Therefore, a way is paved for silicene as the channel of a high-performance FET. PMID:23152944

Topological phase transition and unexpected mass acquisition of Dirac fermion in TlBi(S1-xSex)2

NASA Astrophysics Data System (ADS)

Niu, Chengwang; Dai, Ying; Zhu, Yingtao; Lu, Jibao; Ma, Yandong; Huang, Baibiao

2012-10-01

Based on first-principles calculations and effective Hamiltonian analysis, we predict a topological phase transition from normal to topological insulators and the opening of a gap without breaking the time-reversal symmetry in TlBi(S1-xSex)2. The transition can be driven by modulating the Se concentration, and the rescaled spin-orbit coupling and lattice parameters are the key ingredients for the transition. For topological surface states, the Dirac cone evolves differently as the explicit breaking of inversion symmetry and the energy band can be opened under asymmetry surface. Our results present theoretical evidence for experimental observations [Xu et al., Science 332, 560 (2011); Sato et al., Nat. Phys. 7, 840 (2011)].

rPM6 parameters for phosphorous and sulphur-containing open-shell molecules

NASA Astrophysics Data System (ADS)

Saito, Toru; Takano, Yu

2018-03-01

In this article, we have introduced a reparameterisation of PM6 (rPM6) for phosphorus and sulphur to achieve a better description of open-shell species containing the two elements. Two sets of the parameters have been optimised separately using our training sets. The performance of the spin-unrestricted rPM6 (UrPM6) method with the optimised parameters is evaluated against 14 radical species, which contain either phosphorus or sulphur atom, comparing with the original UPM6 and the spin-unrestricted density functional theory (UDFT) methods. The standard UPM6 calculations fail to describe the adiabatic singlet-triplet energy gaps correctly, and may cause significant structural mismatches with UDFT-optimised geometries. Leaving aside three difficult cases, tests on 11 open-shell molecules strongly indicate the superior performance of UrPM6, which provides much better agreement with the results of UDFT methods for geometric and electronic properties.

Charge density wave order in 1D mirror twin boundaries of single-layer MoSe 2

DOE PAGES

Barja, Sara; Wickenburg, Sebastian; Liu, Zhen-Fei; ...

2016-04-18

Here, We provide direct evidence for the existence of isolated, one-dimensional charge density waves at mirror twin boundaries (MTBs) of single-layer semiconducting MoSe 2. Such MTBs have been previously observed by transmission electron microscopy and have been predicted to be metallic in MoSe 2 and MoS 2. Our low-temperature scanning tunnelling microscopy/spectroscopy measurements revealed a substantial bandgap of 100 meV opening at the Fermi energy in the otherwise metallic one-dimensional structures. We found a periodic modulation in the density of states along the MTB, with a wavelength of approximately three lattice constants. In addition to mapping the energy-dependent densitymore » of states, we determined the atomic structure and bonding of the MTB through simultaneous high-resolution non-contact atomic force microscopy. Density functional theory calculations based on the observed structure reproduced both the gap opening and the spatially resolved density of states.« less

Hard diffraction and deep inelastic scattering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bjorken, J.D.

1994-04-01

Since the advent of hard-collision physics, the study of diffractive processes - shadow physics - has been less prominent than before. However, there is now a renewed interest in the subject, especially in that aspect which synthesizes the short-distance, hard-collision phenomena with the classical physics of large rapidity-gaps. This is especially stimulated by the recent data on deep-inelastic scattering from HERA, as well as the theoretical work which relates to it. The word diffraction is sometimes used by high-energy physicists in a loose way. The author defines this term to mean: A diffractive process occurs if and only if theremore » is a large rapidity gap in the produced-particle phase space which is not exponentially suppressed. Here a rapidity gap means essentially no hadrons produced into the rapidity gap (which operates in the {open_quotes}lego{close_quotes} phase-space of pseudo-rapidity and azimuthal angle). And non-exponential suppression implies that the cross-section for creating a gap with width {Delta}{eta} does not have a power-law decrease with increasing subenergy s=e{sup {Delta}{eta}}, but behaves at most like some power of pseudorapidity {Delta}{eta}{approx}log(s). The term hard diffraction shall simply refer to those diffractive process which have jets in the final-state phase-space.« less

KSC-2013-2730

NASA Image and Video Library

2013-06-13

VANDENBERG ABF, Calif. - The Orbital Sciences Pegasus XL rocket that will lift NASA's IRIS solar observatory into orbit is moved from a hangar onto a transporter at Vandenberg Air Force Base. IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch from Vandenberg June 26. IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: VAFB/Randy Beaudoin

KSC-2012-2821

NASA Image and Video Library

2012-05-11

Vandenberg Air Force Base, Calif. – A truck carrying the third stage of the Orbital Sciences Pegasus XL rocket arrives at Vandenberg Air Force Base in California. NASA’s Interface Region Imaging Spectrograph, or IRIS, spacecraft will launch aboard the Pegasus XL in late 2012. IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and heliosphere, or region around the sun. Photo credit: NASA/Randy Beaudoin

KSC-2013-2731

NASA Image and Video Library

2013-06-13

VANDENBERG ABF, Calif. - The Orbital Sciences Pegasus XL rocket that will lift NASA's IRIS solar observatory into orbit is moved from a hangar onto a transporter at Vandenberg Air Force Base. IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch from Vandenberg June 26. IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: VAFB/Randy Beaudoin

KSC-2013-2726

NASA Image and Video Library

2013-06-13

VANDENBERG ABF, Calif. - The Orbital Sciences Pegasus XL rocket that will lift NASA's IRIS solar observatory into orbit is moved from a hangar onto a transporter at Vandenberg Air Force Base. IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch from Vandenberg June 26. IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: VAFB/Randy Beaudoin

KSC-2013-2733

NASA Image and Video Library

2013-06-13

VANDENBERG ABF, Calif. - The Orbital Sciences Pegasus XL rocket that will lift NASA's IRIS solar observatory into orbit is moved from a hangar onto a transporter at Vandenberg Air Force Base. IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch from Vandenberg June 26. IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: VAFB/Randy Beaudoin

KSC-2013-2734

NASA Image and Video Library

2013-06-13

VANDENBERG ABF, Calif. - The Orbital Sciences Pegasus XL rocket that will lift NASA's IRIS solar observatory into orbit is moved from a hangar onto a transporter at Vandenberg Air Force Base. IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch from Vandenberg June 26. IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: VAFB/Randy Beaudoin

KSC-2013-2732

NASA Image and Video Library

2013-06-13

VANDENBERG ABF, Calif. - The Orbital Sciences Pegasus XL rocket that will lift NASA's IRIS solar observatory into orbit is moved from a hangar onto a transporter at Vandenberg Air Force Base. IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch from Vandenberg June 26. IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: VAFB/Randy Beaudoin

KSC-2013-2669

NASA Image and Video Library

2013-06-11

VANDENBERG ABF, Calif. - The Orbital Sciences Pegasus XL rocket that will lift NASA's IRIS solar observatory into orbit in June is seen in a hangar at Vandenberg Air Force Base. IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch from Vandenberg June 26. IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: VAFB/Randy Beaudoin

KSC-2013-2668

NASA Image and Video Library

2013-06-11

VANDENBERG ABF, Calif. - The Orbital Sciences Pegasus XL rocket that will lift NASA's IRIS solar observatory into orbit in June is seen in a hangar at Vandenberg Air Force Base. IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch from Vandenberg June 26. IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: VAFB/Randy Beaudoin

KSC-2012-2820

NASA Image and Video Library

2012-05-11

Vandenberg Air Force Base, Calif. – A truck carrying all three stages of the Orbital Sciences Pegasus XL rocket arrives at Vandenberg Air Force Base in California. NASA’s Interface Region Imaging Spectrograph, or IRIS, spacecraft will launch aboard the Pegasus XL in late 2012. IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and heliosphere, or region around the sun. Photo credit: NASA/Randy Beaudoin

KSC-2013-2666

NASA Image and Video Library

2013-06-11

VANDENBERG ABF, Calif. - The Orbital Sciences Pegasus XL rocket that will lift NASA's IRIS solar observatory into orbit in June is seen in a hangar at Vandenberg Air Force Base. IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch from Vandenberg June 26. IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: VAFB/Randy Beaudoin

KSC-2012-2826

NASA Image and Video Library

2012-05-11

Vandenberg Air Force Base, Calif. – A truck carrying all three stages of the Orbital Sciences Pegasus XL rocket arrives at Vandenberg Air Force Base in California. NASA’s Interface Region Imaging Spectrograph, or IRIS, spacecraft will launch aboard the Pegasus XL in late 2012. IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and heliosphere, or region around the sun. Photo credit: NASA/Randy Beaudoin

KSC-2013-2665

NASA Image and Video Library

2013-06-11

VANDENBERG ABF, Calif. - The Orbital Sciences Pegasus XL rocket that will lift NASA's IRIS solar observatory into orbit in June is seen in a hangar at Vandenberg Air Force Base. IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch from Vandenberg June 26. IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: VAFB/Randy Beaudoin

KSC-2013-2667

NASA Image and Video Library

2013-06-11

VANDENBERG ABF, Calif. - The Orbital Sciences Pegasus XL rocket that will lift NASA's IRIS solar observatory into orbit in June is seen in a hangar at Vandenberg Air Force Base. IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch from Vandenberg June 26. IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: VAFB/Randy Beaudoin

KSC-2013-2727

NASA Image and Video Library

2013-06-13

VANDENBERG ABF, Calif. - The Orbital Sciences Pegasus XL rocket that will lift NASA's IRIS solar observatory into orbit is moved from a hangar onto a transporter at Vandenberg Air Force Base. IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch from Vandenberg June 26. IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: VAFB/Randy Beaudoin

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Meng; Wang, Yachun; Yao, Jinlei

MnB{sub 4} was newly synthesized to crystallize in a monoclinic P2{sub 1}/c structure, different from previous experimental and theoretical reports. Here, based on first-principles calculations, we perform a comparative study of geometric and energetic features, mechanical behaviors, electronic property and chemical bonding of the experimentally identified monoclinic MnB{sub 4}, as well as orthorhombic CrB{sub 4} and FeB{sub 4}. The results demonstrate that the presence of distorted rhomboidal-B{sub 4} units and one-dimensional Mn chains in the monoclinic MnB{sub 4} breaks the structural symmetry and lowers the total energy in comparison to the orthorhombic phase. The opening of band gap in MnB{submore » 4} is induced by Peierls-paired Mn atoms, differing from the metallic behaviors of recently studied tetraborides. Specifically, the preservations of covalent bonding in distorted boron-rhomboids in MnB{sub 4} explain the relatively higher incompressibility and hardness. - Graphical abstract: P2{sub 1}/c-type structure for MnB{sub 4} characterizes rhomboid-B{sub 4} units and alternately short and long Mn–Mn chains. - Highlights: • The novel P2{sub 1}/c-type MnB{sub 4} compound is studied by first-principles calculations. • P2{sub 1}/c-type MnB{sub 4} has lower total energy and relatively higher stability. • An energy gap opening is found for P2{sub 1}/c-type MnB{sub 4} induced by Mn atom pairs. • P2{sub 1}/c-type MnB{sub 4} exhibits excellent mechanical properties. • The mechanical properties of TcB{sub 4} and ReB{sub 4} in P2{sub 1}/c structure are also studied.« less

Regeneration in bottomland forest canopy gaps six years after variable retention harvests to enhance wildlife habitat

USGS Publications Warehouse

Twedt, Daniel J.; Somershoe, Scott G.; Guldin, James M.

2013-01-01

To promote desired forest conditions that enhance wildlife habitat in bottomland forests, managers prescribed and implemented variable-retention harvest, a.k.a. wildlife forestry, in four stands on Tensas River National Wildlife Refuge, LA. These treatments created canopy openings (gaps) within which managers sought to regenerate shade-intolerant trees. Six years after prescribed harvests, we assessed regeneration in 41 canopy gaps and 4 large (>0.5-ha) patch cut openings that resulted from treatments and in 21 natural canopy gaps on 2 unharvested control stands. Mean gap area of anthropogenic gaps (582 m²) was greater than that of natural gaps (262 m²). Sweetgum (Liquidambar styraciflua) and red oaks (Quercus nigra, Q. nuttallii, and Q. phellos) were common in anthropogenic gaps, whereas elms (Ulmus spp.) and sugarberry (Celtis laevigata) were numerous in natural gaps. We recommend harvest prescriptions include gaps with diameter >25 m, because the proportion of shade-intolerant regeneration increased with gap area up to 500 m². The proportion of shade-intolerant definitive gap fillers (individuals likely to occupy the canopy) increased with gap area: 35 percent in natural gaps, 54 percent in anthropogenic gaps, and 84 percent in patch cuts. Sweetgum, green ash (Fraxinus pennsylvanica), and red oaks were common definitive gap fillers.

Charge-density-wave partial gap opening in quasi-2D KMo 6O 17 purple bronze studied by angle resolved photoemission spectroscopy

NASA Astrophysics Data System (ADS)

Valbuena, M. A.; Avila, J.; Pantin, V.; Drouard, S.; Guyot, H.; Asensio, M. C.

2006-05-01

Low dimensional (LD) metallic oxides have been a subject of continuous interest in the last two decades, mainly due to the electronic instabilities that they present at low temperatures. In particular, charge density waves (CDW) instabilities associated with a strong electron-phonon interaction have been found in Molybdenum metallic oxides such as KMo 6O 17 purple bronze. We report an angle resolved photoemission (ARPES) study from room temperature (RT) to T ˜40 K well below the Peierls transition temperature for this material, with CDW transition temperature TCDW ˜120 K. We have focused on photoemission spectra along ΓM high symmetry direction as well as photoemission measurements were taken as a function of temperature at one representative kF point in the Brillouin zone in order to look for the characteristic gap opening after the phase transition. We found out a pseudogap opening and a decrease in the density of states near the Fermi energy, EF, consistent with the partial removal of the nested portions of the Fermi surface (FS) at temperature below the CDW transition. In order to elucidate possible Fermi liquid (FL) or non-Fermi liquid (NFL) behaviour we have compared the ARPES data with that one reported on quasi-1D K 0.3MoO 3 blue bronze.

Order, disorder, and tunable gaps in the spectrum of Andreev bound states in a multiterminal superconducting device

NASA Astrophysics Data System (ADS)

Yokoyama, Tomohiro; Reutlinger, Johannes; Belzig, Wolfgang; Nazarov, Yuli V.

2017-01-01

We consider the spectrum of Andreev bound states (ABSs) in an exemplary four-terminal superconducting structure where four chaotic cavities are connected by quantum point contacts to the terminals and to each other forming a ring. We nickname the resulting device 4T-ring. Such a tunable device can be realized in a 2D electron gas-superconductor or a graphene-based hybrid structure. We concentrate on the limit of a short structure and large conductance of the point contacts where there are many ABS in the device forming a quasicontinuous spectrum. The energies of the ABS can be tuned by changing the superconducting phases of the terminals. We observe the opening and closing of gaps in the spectrum upon changing the phases. This concerns the usual proximity gap that separates the levels from zero energy as well as less usual "smile" gaps that split the levels of the quasicontinuous spectrum. We demonstrate a remarkable crossover in the overall spectrum that occurs upon changing the ratio of conductances of the inner and outer point contacts. At big values of the ratio (closed limit), the levels exhibit a generic behavior expected for the spectrum of a disordered system manifesting level repulsion and Brownian "motion" upon changing the phases. At small values of the ratio (open limit), the levels are squeezed into narrow bunches separated by wide smile gaps. Each bunch consists of almost degenerate ABS formed by Andreev reflection between two adjacent terminals. We study in detail the properties of the spectrum in the limit of a small ratio, paying special attention to the crossings of bunches. We distinguish two types of crossings: (i) with a regular phase dependence of the levels and (ii) crossings where the Brownian motion of the levels leads to an apparently irregular phase dependence. We work out a perturbation theory that explains the observations both at a detailed level of random scattering in the device and at a phenomenological level of positively defined random matrices. The unusual properties of the spectrum originate from rather unobvious topological effects. The topology of the first kind is restricted to the semiclassical limit and related to the winding of the semiclassical Green function. It is responsible for the closing of the proximity gaps. The topology of the second kind comes about the discreteness of the number of modes in the point contacts and is responsible for the smile gaps. The topology of the third kind leads to the emergence of Weyl points in the spectrum and is not discussed in the context of this article.

Effect of Thermal Annealing on the Band GAP and Optical Properties of Chemical Bath Deposited ZnSe Thin Films

NASA Astrophysics Data System (ADS)

Ezema, F. I.; Ekwealor, A. B. C.; Osuji, R. U.

2006-05-01

Zinc selenide (ZnSe) thin films were deposited on glass substrate using the chemical bath deposition method at room temperature from aqueous solutions of zinc sulphate and sodium selenosulfate in which sodium hydroxide was employed as complexing agents. The `as-deposited' ZnSe thin films are red in color and annealed in oven at 473 K for 1 hour and on a hot plate in open air at 333 K for 5 minutes, affecting the morphological and optical properties. Optical properties such as absorption coefficient a and extinction coefficient k, were determined using the absorbance and transmission measurement from Unico UV-2102 PC spectrophotometer, at normal incidence of light in the wavelength range of 200-1000 nm. The films have transmittance in VIS-NIR regions that range between 26 and 87%. From absorbance and transmittance spectra, the band gap energy determined ranged between 1.60 eV and 1.75 for the `as deposited' samples, and the annealed samples exhibited a band gap shift of 0.15 eV. The high transmittance of the films together with its large band gap made them good materials for selective coatings for solar cells.

Energy as an entanglement witness for quantum many-body systems

NASA Astrophysics Data System (ADS)

Dowling, Mark R.; Doherty, Andrew C.; Bartlett, Stephen D.

2004-12-01

We investigate quantum many-body systems where all low-energy states are entangled. As a tool for quantifying such systems, we introduce the concept of the entanglement gap, which is the difference in energy between the ground-state energy and the minimum energy that a separable (unentangled) state may attain. If the energy of the system lies within the entanglement gap, the state of the system is guaranteed to be entangled. We find Hamiltonians that have the largest possible entanglement gap; for a system consisting of two interacting spin- 1/2 subsystems, the Heisenberg antiferromagnet is one such example. We also introduce a related concept, the entanglement-gap temperature: the temperature below which the thermal state is certainly entangled, as witnessed by its energy. We give an example of a bipartite Hamiltonian with an arbitrarily high entanglement-gap temperature for fixed total energy range. For bipartite spin lattices we prove a theorem demonstrating that the entanglement gap necessarily decreases as the coordination number is increased. We investigate frustrated lattices and quantum phase transitions as physical phenomena that affect the entanglement gap.

Study on the energy band structure and photoelectrochemical performances of spinel Li{sub 4}Ti{sub 5}O{sub 12}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ge, Hao; Tian, Hui; Song, Hua

2015-01-15

Highlights: • Spinel Li{sub 4}Ti{sub 5}O{sub 12} possesses more positive potential of valence band and wider band gap than TiO{sub 2}. • Spinel Li{sub 4}Ti{sub 5}O{sub 12} displays typical n-type semiconductor characteristic and excellent UV-excitateded photocatalysis activity. • Our preliminary study will open new perspectives in investigation of other lithium-based compounds for new photocatalysts. - Abstract: Energy band structure, photoelectrochemical performances and photocatalysis activity of spinel Li{sub 4}Ti{sub 5}O{sub 12} are investigated for the first time in this paper. Li{sub 4}Ti{sub 5}O{sub 12} possesses more positive valence band potential and wider band gap than TiO{sub 2} due to its valencemore » band consisting of Li{sub 1s} and Ti{sub 3d} orbitals mixed with O{sub 2p}. Li{sub 4}Ti{sub 5}O{sub 12} shows typical photocatalysis material characteristics and excellent photocatlytic activity under UV irradiation.« less

Ultrafast terahertz spectroscopy study of a Kondo insulating thin-film Sm B6 : Evidence for an emergent surface state

NASA Astrophysics Data System (ADS)

Zhang, Jingdi; Yong, Jie; Takeuchi, Ichiro; Greene, Richard L.; Averitt, Richard D.

2018-04-01

We utilize terahertz time domain spectroscopy to investigate thin films of the heavy fermion compound Sm B6 , a prototype Kondo insulator. Temperature-dependent terahertz (THz) conductivity measurements reveal a rapid decrease in the Drude weight and carrier scattering rate at ˜T*=20 K , well below the hybridization gap onset temperature (100 K). Moreover, a low-temperature conductivity plateau (below 20 K) suggests the emergence of a surface state with an effective electron mass of 0.1 me . The conductivity dynamics following optical excitation is also measured and interpreted using Rothwarf-Taylor (R-T) phenomenology, yielding a hybridization gap energy of 17 meV. However, R-T modeling of the conductivity dynamics reveals a deviation from the expected thermally excited quasiparticle density at temperatures below 20 K, indicative of another channel opening up in the low-energy electrodynamics. Taken together, these results are consistent with the onset of a surface state well below the crossover temperature (100 K) after long-range coherence of the f -electron Kondo lattice is established.

Multi-gap high impedance plasma opening switch

DOEpatents

Mason, Rodney J.

1996-01-01

A high impedance plasma opening switch having an anode and a cathode and at least one additional electrode placed between the anode and cathode. The presence of the additional electrodes leads to the creation of additional plasma gaps which are in series, increasing the net impedance of the switch. An equivalent effect can be obtained by using two or more conventional plasma switches with their plasma gaps wired in series. Higher impedance switches can provide high current and voltage to higher impedance loads such as plasma radiation sources.

Tensile-strain effect of inducing the indirect-to-direct band-gap transition and reducing the band-gap energy of Ge

DOE Office of Scientific and Technical Information (OSTI.GOV)

Inaoka, Takeshi, E-mail: inaoka@phys.u-ryukyu.ac.jp; Furukawa, Takuro; Toma, Ryo

By means of a hybrid density-functional method, we investigate the tensile-strain effect of inducing the indirect-to-direct band-gap transition and reducing the band-gap energy of Ge. We consider [001], [111], and [110] uniaxial tensility and (001), (111), and (110) biaxial tensility. Under the condition of no normal stress, we determine both normal compression and internal strain, namely, relative displacement of two atoms in the primitive unit cell, by minimizing the total energy. We identify those strain types which can induce the band-gap transition, and evaluate the critical strain coefficient where the gap transition occurs. Either normal compression or internal strain operatesmore » unfavorably to induce the gap transition, which raises the critical strain coefficient or even blocks the transition. We also examine how each type of tensile strain decreases the band-gap energy, depending on its orientation. Our analysis clearly shows that synergistic operation of strain orientation and band anisotropy has a great influence on the gap transition and the gap energy.« less

Stability and Occurrence Rate Constraints on the Planetary Sculpting Hypothesis for “Transitional” Disks

NASA Astrophysics Data System (ADS)

Dong, Ruobing; Dawson, Rebekah

2016-07-01

Transitional disks, protoplanetary disks with deep and wide central gaps, may be the result of planetary sculpting. By comparing numerical planet-opening-gap models with observed gaps, we find systems of 3-6 giant planets are needed in order to open gaps with the observed depths and widths. We explore the dynamical stability of such multi-planet systems using N-body simulations that incorporate prescriptions for gas effects. We find they can be stable over a typical disk lifetime, with the help of eccentricity damping from the residual gap gas that facilitates planets locking into mean motion resonances. However, in order to account for the occurrence rate of transitional disks, the planet sculpting scenario demands gap-opening-friendly disk conditions, in particular, a disk viscosity α ≲ 0.001. In addition, the demography of giant planets at ˜3-30 au separations, poorly constrained by current data, has to largely follow occurrence rates extrapolated outward from radial velocity surveys, not the lower occurrence rates extrapolated inward from direct imaging surveys. Even with the most optimistic occurrence rates, transitional disks cannot be a common phase that most gas disks experience at the end of their life, as popularly assumed, simply because there are not enough planets to open these gaps. Finally, as consequences of demanding almost all giant planets at large separations participate in transitional disk sculpting, the majority of such planets must form early and end up in a chain of mean motion resonances at the end of disk lifetime.

Perceiving and Acting on Complex Affordances: How Children and Adults Bicycle Across Two Lanes of Opposing Traffic

PubMed Central

Grechkin, Timofey Y.; Chihak, Benjamin J.; Cremer, James F.; Kearney, Joseph K.; Plumert, Jodie M.

2014-01-01

This investigation examined how children and adults negotiate a challenging perceptual-motor problem with significant real-world implications – bicycling across two lanes of opposing traffic. Twelve- and 14-year-olds and adults rode a bicycling simulator through an immersive virtual environment. Participants crossed intersections with continuous cross traffic coming from opposing directions. Opportunities for crossing were divided into aligned (far gap opens with or before near gap) and rolling (far gap opens after near gap) gap pairs. Children and adults preferred rolling to aligned gap pairs, though this preference was stronger for adults than for children. Crossing aligned versus rolling gap pairs produced substantial differences in direction of travel, speed of crossing, and timing of entry into the near and far lanes. For both aligned and rolling gap pairs, children demonstrated less skill than adults in coordinating self and object movement. These findings have implications for understanding perception-action-cognition links and for understanding risk factors underlying car-bicycle collisions. PMID:22924952

Rational and design of an overfeeding protocol in constitutional thinness: Understanding the physiology, metabolism and genetic background of resistance to weight gain.

PubMed

Ling, Yiin; Galusca, Bogdan; Hager, Jorg; Feasson, Leonard; Valsesia, Armand; Epelbaum, Jacques; Alexandre, Virginie; Wynn, Emma; Dinet, Cécile; Palaghiu, Radu; Peoc'h, Michel; Boirie, Yves; Montaurier, Christophe; Estour, Bruno; Germain, Natacha

2016-10-01

Constitutional thinness (CT) is a natural state of underweight (13-17.5kg/m 2 ) without the presence of any eating disorders and abnormal hormonal profile, and with preserved menses in women. We previously conducted a four-week fat overfeeding study showing weight gain resistance in CT women and one of our main results was the identification of an energy gap: a positive energy balance (higher energy intake than energy expenditure). This new overfeeding study is designed to confirm the energy gap and propose mechanistic hypothesis. A 2-week overfeeding (daily consumption of one bottle of Renutryl ® Booster (600kcal, 30g protein, 72g carbohydrate, 21g fat) on top of the dietary intake) is performed to compare 15 women and men in each CT group (Body Mass Index [BMI]<18.5kg/m 2 ) to their controls (BMI 20-25kg/m 2 ). Bodyweight, food intake, energy expenditure (canopy, calorimetric chamber and Actiheart), body composition (DXA), appetite regulatory hormone profiles after a test meal, proteomics, metabolomics, urinary metabolic profiles, stool microbiome and lipids, fat and muscle transcriptomics are monitored before and after overfeeding. Data inter-linking will be able to be established with results of this study. The findings could possibly open to therapeutic approaches to help CT patients to gain weight as well as provide a better understanding of energy regulation with regard to treat obesity (resistance to weight loss), a mirror image of CT (resistance to weight gain). Copyright © 2016 Elsevier Masson SAS. All rights reserved.

Proximity induced ferromagnetism, superconductivity, and finite-size effects on the surface states of topological insulator nanostructures

NASA Astrophysics Data System (ADS)

Sengupta, Parijat; Kubis, Tillmann; Tan, Yaohua; Klimeck, Gerhard

2015-01-01

Bi2Te3 and Bi2Se3 are well known 3D-topological insulators (TI). Films made of these materials exhibit metal-like surface states with a Dirac dispersion and possess high mobility. The high mobility metal-like surface states can serve as building blocks for a variety of applications that involve tuning their dispersion relationship and opening a band gap. A band gap can be opened either by breaking time reversal symmetry, the proximity effect of a superconductor or ferromagnet or adjusting the dimensionality of the TI material. In this work, methods that can be employed to easily open a band gap for the TI surface states are assessed. Two approaches are described: (1) Coating the surface states with a ferromagnet which has a controllable magnetization axis. The magnetization strength of the ferromagnet is incorporated as an exchange interaction term in the Hamiltonian. (2) An s-wave superconductor, because of the proximity effect, when coupled to a 3D-TI opens a band gap on the surface. Finally, the hybridization of the surface Dirac cones can be controlled by reducing the thickness of the topological insulator film. It is shown that this alters the band gap significantly.

Opening a band gap without breaking lattice symmetry: a new route toward robust graphene-based nanoelectronics.

PubMed

Kou, Liangzhi; Hu, Feiming; Yan, Binghai; Frauenheim, Thomas; Chen, Changfeng

2014-07-07

Developing graphene-based nanoelectronics hinges on opening a band gap in the electronic structure of graphene, which is commonly achieved by breaking the inversion symmetry of the graphene lattice via an electric field (gate bias) or asymmetric doping of graphene layers. Here we introduce a new design strategy that places a bilayer graphene sheet sandwiched between two cladding layers of materials that possess strong spin-orbit coupling (e.g., Bi2Te3). Our ab initio and tight-binding calculations show that a proximity enhanced spin-orbit coupling effect opens a large (44 meV) band gap in bilayer graphene without breaking its lattice symmetry, and the band gap can be effectively tuned by an interlayer stacking pattern and significantly enhanced by interlayer compression. The feasibility of this quantum-well structure is demonstrated by recent experimental realization of high-quality heterojunctions between graphene and Bi2Te3, and this design also conforms to existing fabrication techniques in the semiconductor industry. The proposed quantum-well structure is expected to be especially robust since it does not require an external power supply to open and maintain a band gap, and the cladding layers provide protection against environmental degradation of the graphene layer in its device applications.

High mobility and high concentration Type-III heterojunction FET

NASA Astrophysics Data System (ADS)

Tsu, R.; Fiddy, M. A.; Her, T.

2018-02-01

The PN junction was introduced in transistors by doping, resulting in high losses due to Coulomb scattering from the dopants. The MOSFET introduced carriers in the form of electrons and holes with an applied bias to the oxide barrier, resulting in carrier transfer without doping. This avoids high scattering losses and dominates the IC industries. With heterojunctions having valence-band maxima near and even above the conduction-band minimum in the formation of Type-III superlattices, very useful devices, introduced by Tsu, Sai-Halacz, and Esaki, soon followed. If the layer thicknesses are more than the carrier mean-free-path, incoherent scattering results in the formation of carrier transfer via diffusion instead of opening up new energy gaps. The exploitation of carriers without scattering represents a new and significant opportunity in what we call a Broken Gap Heterojunction FET.

On the Formation of Multiple Concentric Rings and Gaps in Protoplanetary Disks

NASA Astrophysics Data System (ADS)

Bae, Jaehan; Zhu, Zhaohuan; Hartmann, Lee

2017-12-01

As spiral waves driven by a planet in a gaseous disk steepen into a shock, they deposit angular momentum, opening a gap in the disk. This has been well studied using both linear theory and numerical simulations, but so far only for the primary spiral arm: the one directly attached to the planet. Using 2D hydrodynamic simulations, we show that the secondary and tertiary arms driven by a planet can also open gaps as they steepen into shocks. The depths of the secondary/tertiary gaps in surface density grow with time in a low-viscosity disk (α =5× {10}-5), so even low-mass planets (e.g., super-Earth or mini-Neptune-mass) embedded in the disk can open multiple observable gaps, provided that sufficient time has passed. Applying our results to the HL Tau disk, we show that a single 30 Earth-mass planet embedded in the ring at 68.8 au (B5) can reasonably well reproduce the positions of the two major gaps at 13.2 and 32.3 au (D1 and D2), and roughly reproduce two other major gaps at 64.2 and 74.7 au (D5 and D6) seen in the mm continuum. The positions of secondary/tertiary gaps are found to be sensitive to the planetary mass and the disk temperature profile, so with accurate observational measurements of the temperature structure, the positions of multiple gaps can be used to constrain the mass of the planet. We also comment on the gaps seen in the TW Hya and HD 163296 disk.

Assessing fire effects on forest spatial structure using a fusion of Landsat and airborne LiDAR data in Yosemite National Park

USGS Publications Warehouse

Kane, Van R.; North, Malcolm P.; Lutz, James A.; Churchill, Derek J.; Roberts, Susan L.; Smith, Douglas F.; McGaughey, Robert J.; Kane, Jonathan T.; Brooks, Matthew L.

2014-01-01

Mosaics of tree clumps and openings are characteristic of forests dominated by frequent, low- and moderate-severity fires. When restoring these fire-suppressed forests, managers often try to reproduce these structures to increase ecosystem resilience. We examined unburned and burned forest structures for 1937 0.81 ha sample areas in Yosemite National Park, USA. We estimated severity for fires from 1984 to 2010 using the Landsat-derived Relativized differenced Normalized Burn Ratio (RdNBR) and measured openings and canopy clumps in five height strata using airborne LiDAR data. Because our study area lacked concurrent field data, we identified methods to allow structural analysis using LiDAR data alone. We found three spatial structures, canopy-gap, clump-open, and open, that differed in spatial arrangement and proportion of canopy and openings. As fire severity increased, the total area in canopy decreased while the number of clumps increased, creating a patchwork of openings and multistory tree clumps. The presence of openings > 0.3 ha, an approximate minimum gap size needed to favor shade-intolerant pine regeneration, increased rapidly with loss of canopy area. The range and variation of structures for a given fire severity were specific to each forest type. Low- to moderate-severity fires best replicated the historic clump-opening patterns that were common in forests with frequent fire regimes. Our results suggest that managers consider the following goals for their forest restoration: 1) reduce total canopy cover by breaking up large contiguous areas into variable-sized tree clumps and scattered large individual trees; 2) create a range of opening sizes and shapes, including ~ 50% of the open area in gaps > 0.3 ha; 3) create multistory clumps in addition to single story clumps; 4) retain historic densities of large trees; and 5) vary treatments to include canopy-gap, clump-open, and open mosaics across project areas to mimic the range of patterns found for each forest type in our study.

Current-level triggered plasma-opening switch

DOEpatents

Mendel, C.W.

1987-06-29

An opening switch for very high power electrical pulses uses a slow magnetic field to confine a plasma across a gap between two electrodes. The plasma conducts the electric pulse across the gap while the switch is closed. A magnetic field generated by the pulse repels the slow magnetic field from the negative electrode to push the plasma from the electrode, opening the switch. A plurality of radial vanes may be used to enhance the slow magnetic field. 5 figs.

Current-level triggered plasma-opening switch

DOEpatents

Mendel, Clifford W.

1989-01-01

An opening switch for very high power electrical pulses uses a slow magnetic field to confine a plasma across a gap between two electrodes. The plasma conducts the electric pulse across the gap while the switch is closed. A magnetic field generated by the pulse repels the slow magnetic field from the negative electrode to push the plasma from the electrode, opening the switch. A plurality of radial vanes may be used to enhance the slow magnetic field.

Dust coagulation and magnetic field strength in a planet-induced gap subject to MRI turbulence

NASA Astrophysics Data System (ADS)

Carballido, Augusto; Matthews, Lorin; Hyde, Truell

2017-01-01

We investigate the coagulation of dust particles in and around a gap opened by a Jupiter-mass planet. To this end, we carry out a high-resolution magnetohydrodynamic (MHD) simulation of the gap environment, which is turbulent due to the magneto rotational instability. From the MHD simulation, we obtain values of the gas velocities, densities and turbulent stresses close to the gap edge, in one of the two gas streams that accrete onto the planet, and inside the low-density gap. The MHD values are then supplied to a Monte Carlo dust coagulation algorithm, which models grain sticking, compaction and bouncing. We consider two dust populations for each region: one whose initial size distribution is monodisperse, with monomer radius equal to 1 micron, and another one whose initial size distribution follows the Mathis-Rumpl-Nordsieck distribution for interstellar dust grains, with an initial range of monomer radii between 0.5 and 10 microns. Without bouncing, our Monte Carlo calculations show steady growth of dust aggregates in all regions, and the mass-weighted (MW) average porosity of the initially mono disperse population reaches extremely high final values of 98%. The final MW porosities in all other cases without bouncing range from 30% to 82%. The efficiency of compaction is due to high turbulent relative speeds between dust particles. When bouncing is introduced, growth is slowed down in the planetary wake and inside the gap.We also analyze the strength of the magnetic field threading the gaps opened by planets of different sub-Jovian masses. Preliminary results show that, in a gap opened by a large-mass planet (~ 1 MJ), the time-averaged radial profile of the vertical component of the field (Bz) increases sharply inside the gap, and less sharply in the case of less massive planets. In gaps opened by intermediate-mass planets (~ 0.5 — 0.75 MJ), the radial profile of Bz exhibits local maxima in the vicinity of the planet, but not at the gap center.

A novel theoretical model for the temperature dependence of band gap energy in semiconductors

NASA Astrophysics Data System (ADS)

Geng, Peiji; Li, Weiguo; Zhang, Xianhe; Zhang, Xuyao; Deng, Yong; Kou, Haibo

2017-10-01

We report a novel theoretical model without any fitting parameters for the temperature dependence of band gap energy in semiconductors. This model relates the band gap energy at the elevated temperature to that at the arbitrary reference temperature. As examples, the band gap energies of Si, Ge, AlN, GaN, InP, InAs, ZnO, ZnS, ZnSe and GaAs at temperatures below 400 K are calculated and are in good agreement with the experimental results. Meanwhile, the band gap energies at high temperatures (T  >  400 K) are predicted, which are greater than the experimental results, and the reasonable analysis is carried out as well. Under low temperatures, the effect of lattice expansion on the band gap energy is very small, but it has much influence on the band gap energy at high temperatures. Therefore, it is necessary to consider the effect of lattice expansion at high temperatures, and the method considering the effect of lattice expansion has also been given. The model has distinct advantages compared with the widely quoted Varshni’s semi-empirical equation from the aspect of modeling, physical meaning and application. The study provides a convenient method to determine the band gap energy under different temperatures.

Runaway gas accretion and gap opening versus type I migration

NASA Astrophysics Data System (ADS)

Crida, A.; Bitsch, B.

2017-03-01

Growing planets interact with their natal protoplanetary disc, which exerts a torque onto them allowing them to migrate in the disc. Small mass planets do not affect the gas profile and migrate in the fast type-I migration. Although type-I migration can be directed outwards for planets smaller than 20 - 30M⊕ in some regions of the disc, planets above this mass should be lost into the central star long before the disc disperses. Massive planets push away material from their orbit and open a gap. They subsequently migrate in the slower, type II migration, which could save them from migrating all the way to the star. Hence, growing giant planets can be saved if and only if they can reach the gap opening mass, because this extends their migration timescale, allowing them to eventually survive at large orbits until the disc itself disperses. However, most of the previous studies only measured the torques on planets with fixed masses and orbits to determine the migration rate. Additionally, the transition between type-I and type-II migration itself is not well studied, especially when taking the growth mechanism of rapid gas accretion from the surrounding disc into account. Here we use isothermal 2D disc simulations with FARGO-2D1D to study the migration behaviour of gas accreting protoplanets in discs. We find that migrating giant planets always open gaps in the disc. We further show analytically and numerically that in the runaway gas accretion regime, the growth time-scale is comparable to the type-I migration time-scale, indicating that growing planets will reach gap opening masses before migrating all the way to the central star in type-I migration if the disc is not extremely viscous and/or thick. An accretion rate limited to the radial gas flow in the disc, in contrast, is not fast enough. When gas accretion by the planet is taken into account, the gap opening process is accelerated because the planet accretes material originating from its horseshoe region. This allows an accreting planet to transition to type-II migration before being lost even if gas fails to be provided for a rapid enough growth and the classical gap opening mass is not reached.

Optical and structural properties of amorphous Se x Te100- x aligned nanorods

NASA Astrophysics Data System (ADS)

Al-Agel, Faisal A.

2013-12-01

In the present work, we report studies on optical and structural phenomenon in as-deposited thin films composed of aligned nanorods of amorphous Se x Te100- x ( x = 3, 6, 9, and 12). In structural studies, field emission scanning electron microscopic (FESEM) images suggest that these thin films contain high yield of aligned nanorods. These nanorods show a completely amorphous nature, which is verified by X-ray diffraction patterns of these thin films. Optical studies include the measurement of spectral dependence of absorption, reflection, and transmission of these thin films, respectively. On the basis of optical absorption data, a direct optical band gap is observed. This observation of a direct optical band gap in these nanorods is interesting as chalcogenides normally show an indirect band gap, and due to this reason, these materials could not become very popular for semiconducting devices. Therefore, this is an important report and will open up new directions for the application of these materials in semiconducting devices. The value of this optical band gap is found to decrease with the increase in selenium (Se) concentration. The reflection and absorption data are employed to estimate the values of optical constants (extinction coefficient ( k) and refractive index ( n)). From the spectral dependence of these optical constants, it is found that the values of refractive index ( n) increase, whereas the values of extinction coefficient ( k) decrease with the increase in photon energy. The real and imaginary parts of dielectric constants calculated with the values of extinction coefficient ( k) and refractive index ( n), are found to vary with photon energy and dopant concentration.

Capacitance of graphenes

NASA Astrophysics Data System (ADS)

Young, Andrea; Dean, Cory; Meric, Inanc; Hone, Jim; Shepard, Ken; Kim, Philip

2010-03-01

Using a transfer procedure and single crystal hexagonal Boron Nitride gate dielectric, we are able to fabricate high mobility graphene devices with local top and back gates. The novel geometry of these devices allows us to measure the spatially averaged compressibility of mono- and bilayer graphene using the ``penetration field'' technique [Eisenstein, J.P. et al. Phys. Rev. Lett. 68, 674 (1992)]. In particular, we analyze the the effects of strong transverse electric fields on the compressibility of graphenes, especially as pertains to charged impurity scattering in single layer graphene and the opening of an energy gap in bilayer.

Perylene Bisimide Radicals and Biradicals: Synthesis and Molecular Properties.

PubMed

Schmidt, David; Son, Minjung; Lim, Jong Min; Lin, Mei-Jin; Krummenacher, Ivo; Braunschweig, Holger; Kim, Dongho; Würthner, Frank

2015-11-16

Unprecedented neutral perylene-3,4:9,10-tetracarboxylic acid bisimide (PBI) radicals and biradicals were synthesized by facile chemical oxidation of 4-hydroxyaryl-substituted PBIs. Subsequent characterization by optical and magnetic spectroscopic techniques, as well as quantum chemical calculations, revealed an open-shell singlet biradical ground state for the PBI biradical OS-2(..) (〈s(2)〉=1.2191) with a relatively small singlet-triplet energy gap of 0.041 eV and a large singlet biradical character of y=0.72. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Infant Mortality Rates: Failure to Close the Black-White Gap. Hearing before the Subcommittee on Oversight and Investigations and the Subcommittee on Health and the Environment of the Committee on Energy and Commerce. House of Representatives, Ninety-Eighth Congress, Second Session (March 16, 1984).

ERIC Educational Resources Information Center

Congress of the U.S., Washington, DC. House Committee on Energy and Commerce.

This hearing was held in response to a request from the Congressional Black Caucus, which asked the subcommittees to find out if the Department of Health and Human Services (HHS) was doing everything possible to reduce infant mortality, especially the high death rate experienced by Blacks. The hearing opened with statements by both subcommittee…

Suppression of the "Quasiclassical" proximity gap in correlated-metal--superconductor structures.

PubMed

Nikolić, Branislav K; Freericks, J K; Miller, P

2002-02-18

We study the energy and spatial dependence of the local density of states in a superconductor--correlated-metal--superconductor Josephson junction, where the correlated metal is a non-Fermi liquid (described by the Falicov-Kimball model). Many-body correlations are treated with dynamical mean-field theory, extended to inhomogeneous systems. While quasiclassical theories predict a minigap in the spectrum of a disordered Fermi liquid which is proximity-coupled within a mesoscopic junction, we find that increasing electron correlations destroy any minigap that might be opened in the absence of many-body correlations.

Anomalous Temperature Dependence of the Band Gap in Black Phosphorus.

PubMed

Villegas, Cesar E P; Rocha, A R; Marini, Andrea

2016-08-10

Black phosphorus (BP) has gained renewed attention due to its singular anisotropic electronic and optical properties that might be exploited for a wide range of technological applications. In this respect, the thermal properties are particularly important both to predict its room temperature operation and to determine its thermoelectric potential. From this point of view, one of the most spectacular and poorly understood phenomena is indeed the BP temperature-induced band gap opening; when temperature is increased, the fundamental band gap increases instead of decreases. This anomalous thermal dependence has also been observed recently in its monolayer counterpart. In this work, based on ab initio calculations, we present an explanation for this long known and yet not fully explained effect. We show that it arises from a combination of harmonic and lattice thermal expansion contributions, which are in fact highly interwined. We clearly narrow down the mechanisms that cause this gap opening by identifying the peculiar atomic vibrations that drive the anomaly. The final picture we give explains both the BP anomalous band gap opening and the frequency increase with increasing volume (tension effect).

Uniaxial strain on graphene: Raman spectroscopy study and band-gap opening.

PubMed

Ni, Zhen Hua; Yu, Ting; Lu, Yun Hao; Wang, Ying Ying; Feng, Yuan Ping; Shen, Ze Xiang

2008-11-25

Graphene was deposited on a transparent and flexible substrate, and tensile strain up to approximately 0.8% was loaded by stretching the substrate in one direction. Raman spectra of strained graphene show significant red shifts of 2D and G band (-27.8 and -14.2 cm(-1) per 1% strain, respectively) because of the elongation of the carbon-carbon bonds. This indicates that uniaxial strain has been successfully applied on graphene. We also proposed that, by applying uniaxial strain on graphene, tunable band gap at K point can be realized. First-principle calculations predicted a band-gap opening of approximately 300 meV for graphene under 1% uniaxial tensile strain. The strained graphene provides an alternative way to experimentally tune the band gap of graphene, which would be more efficient and more controllable than other methods that are used to open the band gap in graphene. Moreover, our results suggest that the flexible substrate is ready for such a strain process, and Raman spectroscopy can be used as an ultrasensitive method to determine the strain.

I3Mote: An Open Development Platform for the Intelligent Industrial Internet

PubMed Central

Martinez, Borja; Vilajosana, Xavier; Kim, Il Han; Zhou, Jianwei; Tuset-Peiró, Pere; Xhafa, Ariton; Poissonnier, Dominique; Lu, Xiaolin

2017-01-01

In this article we present the Intelligent Industrial Internet (I3) Mote, an open hardware platform targeting industrial connectivity and sensing deployments. The I3Mote features the most advanced low-power components to tackle sensing, on-board computing and wireless/wired connectivity for demanding industrial applications. The platform has been designed to fill the gap in the industrial prototyping and early deployment market with a compact form factor, low-cost and robust industrial design. I3Mote is an advanced and compact prototyping system integrating the required components to be deployed as a product, leveraging the need for adopting industries to build their own tailored solution. This article describes the platform design, firmware and software ecosystem and characterizes its performance in terms of energy consumption. PMID:28452945

Understanding How Isotopes Affect Charge Transfer in P3HT/PCBM: A Quantum Trajectory-Electronic Structure Study with Nonlinear Quantum Corrections

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Lei; Jakowski, Jacek; Garashchuk, Sophya

The experimentally observed effect of selective deuterium substitution on the open circuit voltage for a blend of poly(3-hexylthiophene)(P3HT) and [6,6]-phenyl-C 61- butyric acid methyl ester (PCBM) (Nat. Commun. 5:3180, 2014) is explored using a 221-atom model of a polymer-wrapped PCBM molecule. We describe the protonic and deuteronic wavefunctions for the H/D isotopologues of the hexyl side chains within a Quantum Trajectory/Electronic Structure approach where the dynamics is performed with newly developed nonlinear corrections to the quantum forces, necessary to describe the nuclear wavefunctions; the classical forces are generated with a Density Functional Tight Binding method. We used the resulting protonicmore » and deuteronic time-dependent wavefunctions to assess the effects of isotopic substitution (deuteration) on the energy gaps relevant to the charge transfer for the donor and acceptor electronic states. Furthermore, while the isotope effect on the electronic energy levels is found negligible, the quantum-induced fluctuations of the energy gap between the charge transfer and charge separated states due to nuclear wavefunctions may account for experimental trends by promoting charge transfer in P3HT/PCBM and increasing charge recombination on the donor in the deuterium substituted P3HT/PCBM.« less

Understanding How Isotopes Affect Charge Transfer in P3HT/PCBM: A Quantum Trajectory-Electronic Structure Study with Nonlinear Quantum Corrections

DOE PAGES

Wang, Lei; Jakowski, Jacek; Garashchuk, Sophya; ...

2016-08-09

The experimentally observed effect of selective deuterium substitution on the open circuit voltage for a blend of poly(3-hexylthiophene)(P3HT) and [6,6]-phenyl-C 61- butyric acid methyl ester (PCBM) (Nat. Commun. 5:3180, 2014) is explored using a 221-atom model of a polymer-wrapped PCBM molecule. We describe the protonic and deuteronic wavefunctions for the H/D isotopologues of the hexyl side chains within a Quantum Trajectory/Electronic Structure approach where the dynamics is performed with newly developed nonlinear corrections to the quantum forces, necessary to describe the nuclear wavefunctions; the classical forces are generated with a Density Functional Tight Binding method. We used the resulting protonicmore » and deuteronic time-dependent wavefunctions to assess the effects of isotopic substitution (deuteration) on the energy gaps relevant to the charge transfer for the donor and acceptor electronic states. Furthermore, while the isotope effect on the electronic energy levels is found negligible, the quantum-induced fluctuations of the energy gap between the charge transfer and charge separated states due to nuclear wavefunctions may account for experimental trends by promoting charge transfer in P3HT/PCBM and increasing charge recombination on the donor in the deuterium substituted P3HT/PCBM.« less

Theoretical and experimental evidence for a nodal energy gap in MgB2

NASA Astrophysics Data System (ADS)

Agassi, Y. Dan; Oates, Daniel E.

2017-11-01

We present a phenomenological model that strongly suggests that the smaller of the two energy gaps in MgB2, the so-called π gap, contains nodal lines with a six-fold symmetry (i-wave). The model also indicates that the larger gap, the so-called σ gap, is conventional s-wave. The model is an extension of the BCS gap equation that accounts for the elastic anisotropy in MgB2 and the Coulomb repulsion. It is based on a phononic pairing mechanism and assumes no coupling between the two energy gaps in MgB2 at zero temperature. All of the parameters of the model, such as sound velocities and masses, are independently determined material constants. The results agree with a previous ad-hoc hypothesis that the π energy gap has six nodal lines. That hypothesis was motivated by low-temperature measurements of the surface impedance and intermodulation distortion in high-quality thin films. We briefly review experimental evidence in the literature that is relevant to the energy-gap symmetry. We find that the evidence from the literature for s-wave is inconclusive. Our finding is that the π gap has six nodal lines.

Yellow-Poplar and Oak Seedling Density Responses to Wind-Generated Gaps

Treesearch

Erik C. Berg; David H. Van Lear

2004-01-01

The effects of wind on upland hardwood forest structure and composition have been studied mostly in the context of either small "gap-phase" openings or in retrospective studies of ancient disturbances. Larger (> 0.1 ha) wind-created openings are common across Southern Appalachian landscapes, and can be impor tant in shaping understory colonization, growth...

Survivorship and Growth of Oak Regeneration in Wind-Created Gaps

Treesearch

Erik C. Berg

2004-01-01

The effects of wind on upland hardwood forest structure and composition have been studied mostly in the context of either one to two tree mortality gap-phase openings or in retrospective studies of ancient disturbances. Larger (> 0.1 ha) wind-created openings are common across Southern Appalachian landscapes and can be an important factor in shaping understory...

DETECTION AND CHARACTERIZATION OF EXTRASOLAR PLANETS THROUGH MEAN-MOTION RESONANCES. I. SIMULATIONS OF HYPOTHETICAL DEBRIS DISKS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tabeshian, Maryam; Wiegert, Paul A., E-mail: mtabeshi@uwo.ca

2016-02-20

The gravitational influence of a planet on a nearby disk provides a powerful tool for detecting and studying extrasolar planetary systems. Here we demonstrate that gaps can be opened in dynamically cold debris disks at the mean-motion resonances of an orbiting planet. The gaps are opened away from the orbit of the planet itself, revealing that not all disk gaps need contain a planetary body. These gaps are large and deep enough to be detectable in resolved disk images for a wide range of reasonable disk-planet parameters, though we are not aware of any such gaps detected to date. Themore » gap shape and size are diagnostic of the planet location, eccentricity and mass, and allow one to infer the existence of unseen planets, as well as many important parameters of both seen and unseen planets in these systems. We present expressions to allow the planetary mass and semimajor axis to be calculated from observed gap width and location.« less

Canopy gaps and dead tree dynamics: poking holes in the forest.

Treesearch

Sally Duncan

2002-01-01

When large trees die, individually or in clumps, gaps are opened in the forest canopy. A shifting mosaic of patches, from small single-tree gaps to very large gaps caused by wildlife, is a natural part of the development of composition and structure in mature forests. Gaps increase the diversity of forests across the landscape and present local environments that...

Multi-gap high impedance plasma opening switch

DOEpatents

Mason, R.J.

1996-10-22

A high impedance plasma opening switch having an anode and a cathode and at least one additional electrode placed between the anode and cathode is disclosed. The presence of the additional electrodes leads to the creation of additional plasma gaps which are in series, increasing the net impedance of the switch. An equivalent effect can be obtained by using two or more conventional plasma switches with their plasma gaps wired in series. Higher impedance switches can provide high current and voltage to higher impedance loads such as plasma radiation sources. 12 figs.

KSC-2012-2824

NASA Image and Video Library

2012-05-11

Vandenberg Air Force Base, Calif. – Inside a hangar at Vandenberg Air Force Base in California, technicians offload the second stage of the Orbital Sciences Pegasus XL rocket from the truck in which it was transported. NASA’s Interface Region Imaging Spectrograph, or IRIS, spacecraft will launch aboard the Pegasus XL in late 2012. IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and heliosphere, or region around the sun. Photo credit: NASA/Randy Beaudoin

KSC-2013-2627

NASA Image and Video Library

2013-06-10

VANDENBERG AFB – Detail of the Orbital Sciences Pegasus XL rocket that will lift NASA's IRIS solar observatory into orbit in June. The work is taking place in a hangar at Vandenberg Air Force Base where IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch from Vandenberg June 26. IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: NASA/Tony Vauclin

KSC-2013-2620

NASA Image and Video Library

2013-06-10

VANDENBERG AFB – Detail of the Orbital Sciences Pegasus XL rocket that will lift NASA's IRIS solar observatory into orbit in June. The work is taking place in a hangar at Vandenberg Air Force Base where IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch from Vandenberg June 26. IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: NASA/Tony Vauclin

KSC-2012-2828

NASA Image and Video Library

2012-05-11

Vandenberg Air Force Base, Calif. – At Vandenberg Air Force Base in California, technicians prepare to offload the first stage of the Orbital Sciences Pegasus XL rocket from the truck in which it was transported. NASA’s Interface Region Imaging Spectrograph, or IRIS, spacecraft will launch aboard the Pegasus XL in late 2012. IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and heliosphere, or region around the sun. Photo credit: NASA/Randy Beaudoin

KSC-2012-2827

NASA Image and Video Library

2012-05-11

Vandenberg Air Force Base, Calif. – At Vandenberg Air Force Base in California, technicians prepare to offload the first stage of the Orbital Sciences Pegasus XL rocket from the truck in which it was transported. NASA’s Interface Region Imaging Spectrograph, or IRIS, spacecraft will launch aboard the Pegasus XL in late 2012. IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and heliosphere, or region around the sun. Photo credit: NASA/Randy Beaudoin

KSC-2012-2825

NASA Image and Video Library

2012-05-11

Vandenberg Air Force Base, Calif. – Inside a hangar at Vandenberg Air Force Base in California, technicians offload the second stage of the Orbital Sciences Pegasus XL rocket from the truck in which it was transported. NASA’s Interface Region Imaging Spectrograph, or IRIS, spacecraft will launch aboard the Pegasus XL in late 2012. IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and heliosphere, or region around the sun. Photo credit: NASA/Randy Beaudoin

KSC-2012-2822

NASA Image and Video Library

2012-05-11

Vandenberg Air Force Base, Calif. – Inside a hangar at Vandenberg Air Force Base in California, technicians prepare to offload the third stage of the Orbital Sciences Pegasus XL rocket from the truck in which it was transported. NASA’s Interface Region Imaging Spectrograph, or IRIS, spacecraft will launch aboard the Pegasus XL in late 2012. IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and heliosphere, or region around the sun. Photo credit: NASA/Randy Beaudoin

KSC-2013-2625

NASA Image and Video Library

2013-06-10

VANDENBERG AFB – Detail of the Orbital Sciences Pegasus XL rocket that will lift NASA's IRIS solar observatory into orbit in June. The work is taking place in a hangar at Vandenberg Air Force Base where IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch from Vandenberg June 26. IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: NASA/Tony Vauclin

KSC-2012-2831

NASA Image and Video Library

2012-05-11

Vandenberg Air Force Base, Calif. – At Vandenberg Air Force Base in California, technicians offload the first stage of the Orbital Sciences Pegasus XL rocket from the truck in which it was transported. NASA’s Interface Region Imaging Spectrograph, or IRIS, spacecraft will launch aboard the Pegasus XL in late 2012. IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and heliosphere, or region around the sun. Photo credit: NASA/Randy Beaudoin

KSC-2012-2829

NASA Image and Video Library

2012-05-11

Vandenberg Air Force Base, Calif. – At Vandenberg Air Force Base in California, technicians prepare to offload the first stage of the Orbital Sciences Pegasus XL rocket from the truck in which it was transported. NASA’s Interface Region Imaging Spectrograph, or IRIS, spacecraft will launch aboard the Pegasus XL in late 2012. IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and heliosphere, or region around the sun. Photo credit: NASA/Randy Beaudoin

KSC-2012-2830

NASA Image and Video Library

2012-05-11

Vandenberg Air Force Base, Calif. – At Vandenberg Air Force Base in California, technicians offload the first stage of the Orbital Sciences Pegasus XL rocket from the truck in which it was transported. NASA’s Interface Region Imaging Spectrograph, or IRIS, spacecraft will launch aboard the Pegasus XL in late 2012. IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and heliosphere, or region around the sun. Photo credit: NASA/Randy Beaudoin

KSC-2012-2823

NASA Image and Video Library

2012-05-11

Vandenberg Air Force Base, Calif. – Inside a hangar at Vandenberg Air Force Base in California, technicians prepare to offload the third stage of the Orbital Sciences Pegasus XL rocket from the truck in which it was transported. NASA’s Interface Region Imaging Spectrograph, or IRIS, spacecraft will launch aboard the Pegasus XL in late 2012. IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and heliosphere, or region around the sun. Photo credit: NASA/Randy Beaudoin

KSC-2013-2204

NASA Image and Video Library

2013-04-25

VANDENBERG AIR FORCE BASE, Calif. -- Half of the fairing that will be fitted to the nose of the Orbital Sciences Corp. Pegasus XL rocket is ready for its installation around the Interface Region Imaging Spectrograph, or IRIS, spacecraft. The fairing will protect the spacecraft from atmospheric heating and stress during launch. IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: VAFB/Randy Beaudoin

KSC-2012-4672

NASA Image and Video Library

2012-08-21

Vandenberg Air Force Base, Calif. – Inside a processing facility at Vandenberg Air Force Base in California, technicians assist as a crane moves the wing closer for a fit check with the Orbital Sciences Pegasus XL launch vehicle. NASA’s Interface Region Imaging Spectrograph, or IRIS, spacecraft will launch aboard the Pegasus XL in late 2012. IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and heliosphere, or region around the sun. Photo credit: NASA/Randy Beaudoin

KSC-2012-4677

NASA Image and Video Library

2012-08-21

Vandenberg Air Force Base, Calif. – Inside a processing facility at Vandenberg Air Force Base in California, technicians assist as a crane lowers the wing closer for a fit check with the Orbital Sciences Pegasus XL launch vehicle. NASA’s Interface Region Imaging Spectrograph, or IRIS, spacecraft will launch aboard the Pegasus XL in late 2012. IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and heliosphere, or region around the sun. Photo credit: NASA/Randy Beaudoin

KSC-2012-4674

NASA Image and Video Library

2012-08-21

Vandenberg Air Force Base, Calif. – Inside a processing facility at Vandenberg Air Force Base in California, technicians assist as a crane moves the wing closer for a fit check with the Orbital Sciences Pegasus XL launch vehicle. NASA’s Interface Region Imaging Spectrograph, or IRIS, spacecraft will launch aboard the Pegasus XL in late 2012. IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and heliosphere, or region around the sun. Photo credit: NASA/Randy Beaudoin

KSC-2012-4673

NASA Image and Video Library

2012-08-21

Vandenberg Air Force Base, Calif. – Inside a processing facility at Vandenberg Air Force Base in California, technicians assist as a crane moves the wing closer for a fit check with the Orbital Sciences Pegasus XL launch vehicle. NASA’s Interface Region Imaging Spectrograph, or IRIS, spacecraft will launch aboard the Pegasus XL in late 2012. IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and heliosphere, or region around the sun. Photo credit: NASA/Randy Beaudoin

KSC-2012-4671

NASA Image and Video Library

2012-08-21

Vandenberg Air Force Base, Calif. – Inside a processing facility at Vandenberg Air Force Base in California, technicians prepare the wing for a fit check with the Orbital Sciences Pegasus XL launch vehicle. NASA’s Interface Region Imaging Spectrograph, or IRIS, spacecraft will launch aboard the Pegasus XL in late 2012. IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and heliosphere, or region around the sun. Photo credit: NASA/Randy Beaudoin

KSC-2012-4675

NASA Image and Video Library

2012-08-21

Vandenberg Air Force Base, Calif. – Inside a processing facility at Vandenberg Air Force Base in California, technicians assist as a crane lowers the wing closer for a fit check with the Orbital Sciences Pegasus XL launch vehicle. NASA’s Interface Region Imaging Spectrograph, or IRIS, spacecraft will launch aboard the Pegasus XL in late 2012. IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and heliosphere, or region around the sun. Photo credit: NASA/Randy Beaudoin

KSC-2012-4676

NASA Image and Video Library

2012-08-21

Vandenberg Air Force Base, Calif. – Inside a processing facility at Vandenberg Air Force Base in California, technicians assist as a crane lowers the wing closer for a fit check with the Orbital Sciences Pegasus XL launch vehicle. NASA’s Interface Region Imaging Spectrograph, or IRIS, spacecraft will launch aboard the Pegasus XL in late 2012. IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and heliosphere, or region around the sun. Photo credit: NASA/Randy Beaudoin

KSC-2012-4670

NASA Image and Video Library

2012-08-21

Vandenberg Air Force Base, Calif. – Inside a processing facility at Vandenberg Air Force Base in California, technicians prepare the wing for a fit check with the Orbital Sciences Pegasus XL launch vehicle. NASA’s Interface Region Imaging Spectrograph, or IRIS, spacecraft will launch aboard the Pegasus XL in late 2012. IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and heliosphere, or region around the sun. Photo credit: NASA/Randy Beaudoin

The Hofstadter Butterfly and some physical consequences

NASA Astrophysics Data System (ADS)

Claro, Francisco

Opening its beautiful wings for the first time four decades ago, the Hofstadter Butterfly emerged as a self-similar pattern of bands and gaps displaying the allowed energies for two dimensional crystalline electrons in a perpendicular magnetic field. Within the Harper model, as the external field parameter is varied well defined gaps traverse the spectrum, some closing at a Dirac point where two approaching bands touch. Such band edges degeneracy is lifted in more realistic models. Gaps have a unique label that determines the Hall conductivity of a noninteracting electron system, as observed in recent experiments. When the 2D electron assembly is allowed to interact in the absence of an underlying periodic potential, the mean field approximation predicts a liquid at integer filling fractions and electron density fluctuations otherwise, which if periodic may be represented again by a Harper equation. The intriguing odd denominator rule observed in experiment in the fractional quantum Hall regime is then a natural prediction of the model. Although I have an affiliation (lifetime Granted) I am actually retired (do not have a paid contract).

Organometallic chemical vapor deposition and characterization of ZnGe(1-x)Si(x)P2-Ge alloys on GaP substrates

NASA Technical Reports Server (NTRS)

Xing, G. C.; Bachmann, K. J.; Posthill, J. B.; Timmons, M. L.

1991-01-01

In this paper, we report the epitaxial growth of ZnGe(1-x)Si(x)P2-Ge alloys on GaP substrates by open tube OMCVD. The chemical composition of the alloys characterized by energy dispersive X-ray spectroscopy shows that alloys with x up to 0.13 can be deposited on (001) GaP. Epitaxial growth with mirror smooth surface morphology has been achieved for x less than or equals to 0.05. Selected area electron diffraction pattern of the alloy shows that the epitaxial layer crystallizes in the chalcopyrite structure with relatively weak superlattice reflections indicating certain degree of randomness in the cation sublattice. Hall measurements show that the alloys are p-type, like the unalloyed films; the carrier concentration, however, dropped about 10 times from 2 x 10 exp 18 to 2 x 10 exp 17/cu cm. Absorption measurements indicate that the band tailing in the absorption spectra of the alloy has been shifted about 0.04 eV towards shorter wavelength as compared to the unalloyed material.

Probing the Energy Level Alignment and the Correlation with Open-Circuit Voltage in Solution-Processed Polymeric Bulk Heterojunction Photovoltaic Devices.

PubMed

Yang, Qing-Dan; Li, Ho-Wa; Cheng, Yuanhang; Guan, Zhiqiang; Liu, Taili; Ng, Tsz-Wai; Lee, Chun-Sing; Tsang, Sai-Wing

2016-03-23

Energy level alignment at the organic donor and acceptor interface is a key to determine the photovoltaic performance in organic solar cells, but direct probing of such energy alignment is still challenging especially for solution-processed bulk heterojunction (BHJ) thin films. Here we report a systematic investigation on probing the energy level alignment with different approaches in five commonly used polymer:[6,6]-phenyl-C71-butyric acid methyl ester (PCBM) BHJ systems. We find that by tuning the weight ratio of polymer to PCBM the electronic features from both polymer and PCBM can be obtained by photoemission spectroscopy. Using this approach, we find that some of the BHJ blends simply follow vacuum level alignment, but others show strong energy level shifting as a result of Fermi level pinning. Independently, by measuring the temperature-dependent open-circuit voltage (VOC), we find that the effective energy gap (Eeff), the energy difference between the highest occupied molecular orbital of the polymer donor (EHOMO-D) and lowest unoccupied molecular orbital of the PCBM acceptor (ELUMO-A), obtained by photoemission spectroscopy in all polymer:PCBM blends has an excellent agreement with the extrapolated VOC at 0 K. Consequently, the photovoltage loss of various organic BHJ photovoltaic devices at room temperature is in a range of 0.3-0.6 V. It is believed that the demonstrated direct measurement approach of the energy level alignment in solution-processed organic BHJ will bring deeper insight into the origin of the VOC and the corresponding photovoltage loss mechanism in organic photovoltaic cells.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kraus, Stefan; Espaillat, Catherine; Wilner, David J.

Pre-transitional disks are protoplanetary disks with a gapped disk structure, potentially indicating the presence of young planets in these systems. In order to explore the structure of these objects and their gap-opening mechanism, we observed the pre-transitional disk V1247 Orionis using the Very Large Telescope Interferometer, the Keck Interferometer, Keck-II, Gemini South, and IRTF. This allows us to spatially resolve the AU-scale disk structure from near- to mid-infrared wavelengths (1.5-13 {mu}m), tracing material at different temperatures and over a wide range of stellocentric radii. Our observations reveal a narrow, optically thick inner-disk component (located at 0.18 AU from the star)more » that is separated from the optically thick outer disk (radii {approx}> 46 AU), providing unambiguous evidence for the existence of a gap in this pre-transitional disk. Surprisingly, we find that the gap region is filled with significant amounts of optically thin material with a carbon-dominated dust mineralogy. The presence of this optically thin gap material cannot be deduced solely from the spectral energy distribution, yet it is the dominant contributor at mid-infrared wavelengths. Furthermore, using Keck/NIRC2 aperture masking observations in the H, K', and L' bands, we detect asymmetries in the brightness distribution on scales of {approx}15-40 AU, i.e., within the gap region. The detected asymmetries are highly significant, yet their amplitude and direction changes with wavelength, which is not consistent with a companion interpretation but indicates an inhomogeneous distribution of the gap material. We interpret this as strong evidence for the presence of complex density structures, possibly reflecting the dynamical interaction of the disk material with sub-stellar mass bodies that are responsible for the gap clearing.« less

Dark gap solitons in exciton-polariton condensates in a periodic potential.

PubMed

Cheng, Szu-Cheng; Chen, Ting-Wei

2018-03-01

We show that dark spatial gap solitons can occur inside the band gap of an exciton-polariton condensate (EPC) in a one-dimensional periodic potential. The energy dispersions of an EPC loaded into a periodic potential show a band-gap structure. Using the effective-mass model of the complex Gross-Pitaevskii equation with pump and dissipation in an EPC in a periodic potential, dark gap solitons are demonstrated near the minimum energy points of the band center and band edge of the first and second bands, respectively. The excitation energies of dark gap solitons are below these minimum points and fall into the band gap. The spatial width of a dark gap soliton becomes smaller as the pump power is increased.

Dark gap solitons in exciton-polariton condensates in a periodic potential

NASA Astrophysics Data System (ADS)

Cheng, Szu-Cheng; Chen, Ting-Wei

2018-03-01

We show that dark spatial gap solitons can occur inside the band gap of an exciton-polariton condensate (EPC) in a one-dimensional periodic potential. The energy dispersions of an EPC loaded into a periodic potential show a band-gap structure. Using the effective-mass model of the complex Gross-Pitaevskii equation with pump and dissipation in an EPC in a periodic potential, dark gap solitons are demonstrated near the minimum energy points of the band center and band edge of the first and second bands, respectively. The excitation energies of dark gap solitons are below these minimum points and fall into the band gap. The spatial width of a dark gap soliton becomes smaller as the pump power is increased.

Tuning the Energy Gap of SiCH3 Nanomaterials Under Elastic Strain

NASA Astrophysics Data System (ADS)

Ma, Shengqian; Li, Feng; Geng, Jiguo; Zhu, Mei; Li, Suyan; Han, Juguang

2018-05-01

SiCH3 nanomaterials have been studied using the density functional theory. When the nanosheets and nanoribbons (armchair and zigzag) are introduced, their energy gap is modulated under elastic strain and width. The results show that the band gap of SiCH3 nanomaterials can be easily tuned using elastic strains and widths. Surprisingly, the band gap can be modulated along two directions, namely, compressing and stretching. The band gap decreases when increasing stretching strain or decreasing compressing strain. In addition, the band gap decreases when increasing the nanoribbon width. For energy gap engineering, the band gap can be tuned by strains and widths. Therefore, the SiCH3 nanomaterials play important roles in potential applications for strain sensors, electronics, and optical electronics.

Tuning the energy band gap of ternary alloyed Cd1-xPbxS quantum dots for photovoltaic applications

NASA Astrophysics Data System (ADS)

Badawi, Ali

2016-02-01

Tuning the energy band gap of ternary alloyed Cd1-xPbxS (x: 0, 0.33, 0.5, 0.67 and 1) quantum dots (QDs) for photovoltaic applications is studied. Alloyed Cd1-xPbxS QDs were adsorbed onto TiO2 nanoparticles (NPs) using ssuccessive ionic layer adsorption and reaction (SILAR) methode. EDX measurements ensure the success adsorption of alloyed Cd1-xPbxS QDs onto the TiO2 electrode. At 100 mW/cm2 (AM 1.5) sun illumination, the photovoltaic performance of alloyed Cd1-xPbxS QDs sensitized solar cells (QDSSCs) was measured. The maximum values of Jsc (1.92 mA/cm2) and η (0.36%) for the alloyed Cd1-xPbxS QDSSCs were obtained when the molar ratio of Cd/Pb is 0.33/0.67. the open circuit voltage (Voc) is equal 0.61 ± 0.01 V for all alloyed Cd1-xPbxS QDSSCs. The electron back recombination rates decrease considerably for alloyed Cd1-xPbxS QDSSCs as x value increases, peaking at 0.67. The electron lifetime (τ) for Cd0.33Pb0.67S QDSSCs is one order of magnitude larger than that of the other alloyed Cd1-xPbxS QDSSCs with different x value. Under ON-OFF cycles to solar illumination, the open circuit voltage decay measurements show the high sensitivity and reproducibility of alloyed Cd1-xPbxS QDSSCs.

A long-term study of tree seedling recruitment in Southern Appalachian forests: the effects of canopy gaps and shrub understories

Treesearch

Brian Beckage; James S. Clark; Barton D. Clinton; Bruce L. Haines

2000-01-01

We examined the importance of intermediate-sized gaps and a dense shrub layer on tree seedling recruitment in a Southern Appalachian deciduous forest. We created 12 canopy gaps under two contrasting understory conditions: 6 gaps were dominated by the dense, shade-producing shrub, Rhododendron maximum L., while the remaining gaps were relatively open...

Hall-MHD and PIC Modeling of the Conduction-to-Opening Transition in a Plasma Opening Switch

NASA Astrophysics Data System (ADS)

Schumer, J. W.; SwanekampDdagger, S. B.; Ottinger, P. F.; Commisso, R. J.; Weber, B. V.

1998-11-01

Utilizing the fast opening characteristics of a plasma opening switch (POS), inductive energy storage devices can generate short-duration high-power pulses (<0.1 μ s, >1 TW) with current rise-times on the order of 10 ns. Plasma redistribution and thinning during the POS conduction phase can be modeled adequately with MHD methods. By including the Hall term in Ohm's Law, MHD methods can simulate plasmas with density gradient scale lengths between c/ω_pe < Ln < c/ω_pi. However, the neglect of electron inertia (c/ω_pe) and space-charge separation (λ_De) by single-fluid theory eventually becomes invalid in small gap regions that form during POS opening. PIC methods are well-suited for low-density plasmas, but are numerically taxed by high-density POS regions. An interface converts MHD (Mach2) output into PIC (Magic) input suitable for validating various transition criteria through comparison of current and density distributions from both methods. We will discuss recent progress in interfacing Hall-MHD and PIC simulations. Work supported by Defense Special Weapons Agency. ^ NRL-NRC Research Associate. hspace0.25in ^ JAYCOR, Vienna, VA 22102.

Gate-defined quantum confinement in suspended bilayer graphene

NASA Astrophysics Data System (ADS)

Allen, M. T.; Martin, J.; Yacoby, A.

2012-07-01

Quantum-confined devices that manipulate single electrons in graphene are emerging as attractive candidates for nanoelectronics applications. Previous experiments have employed etched graphene nanostructures, but edge and substrate disorder severely limit device functionality. Here we present a technique that builds quantum-confined structures in suspended bilayer graphene with tunnel barriers defined by external electric fields that open a bandgap, thereby eliminating both edge and substrate disorder. We report clean quantum dot formation in two regimes: at zero magnetic field B using the energy gap induced by a perpendicular electric field and at B>0 using the quantum Hall ν=0 gap for confinement. Coulomb blockade oscillations exhibit periodicity consistent with electrostatic simulations based on local top-gate geometry, a direct demonstration of local control over the band structure of graphene. This technology integrates single electron transport with high device quality and access to vibrational modes, enabling broad applications from electromechanical sensors to quantum bits.

DFT study of Al doped armchair SWCNTs

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dhiman, Shobhna, E-mail: s-dhiman@hotmail.com; Rani, Anita; Kumar, Ranjan

2016-05-23

Electronic properties of endohedrally doped armchair single-walled carbon nanotubes (SWCNTs) with a chain of six Al atoms have been studied using ab-initio density functional theory. We investigate the binding energy/atom, ionization potential, electron Affinity and Homo-Lumo gap of doped armchair SWNTs from (4,4) to (6,6) with two ends open. BE/dopant atom and ionization potential is maximum for (6, 6) doped armchair carbon nanotube; suggest that it is more stable than (4, 4) and (5, 5) doped tubes. HOMO - LUMO gap of Al doped arm chair carbon nanotubes decreases linearly with the increase in diameter of the tube. This showsmore » that confinement induce a strong effect on electronic properties of doped tubes. These combined systems can be used for future nano electronics. The ab–initio calculations were performed with SIESTA code using generalized gradient approximation (GGA).« less

Hour-glass magnetic excitations induced by nanoscopic phase separation in cobalt oxides.

PubMed

Drees, Y; Li, Z W; Ricci, A; Rotter, M; Schmidt, W; Lamago, D; Sobolev, O; Rütt, U; Gutowski, O; Sprung, M; Piovano, A; Castellan, J P; Komarek, A C

2014-12-23

The magnetic excitations in the cuprate superconductors might be essential for an understanding of high-temperature superconductivity. In these cuprate superconductors the magnetic excitation spectrum resembles an hour-glass and certain resonant magnetic excitations within are believed to be connected to the pairing mechanism, which is corroborated by the observation of a universal linear scaling of superconducting gap and magnetic resonance energy. So far, charge stripes are widely believed to be involved in the physics of hour-glass spectra. Here we study an isostructural cobaltate that also exhibits an hour-glass magnetic spectrum. Instead of the expected charge stripe order we observe nano phase separation and unravel a microscopically split origin of hour-glass spectra on the nano scale pointing to a connection between the magnetic resonance peak and the spin gap originating in islands of the antiferromagnetic parent insulator. Our findings open new ways to theories of magnetic excitations and superconductivity in cuprate superconductors.

Electroosmotic flow and Joule heating in preparative continuous annular electrochromatography.

PubMed

Laskowski, René; Bart, Hans-Jörg

2015-09-01

An openFOAM "computational fluid dynamic" simulation model was developed for the description of local interaction of hydrodynamics and Joule heating in annular electrochromatography. A local decline of electrical conductivity of the background eluent is caused by an electrokinetic migration of ions resulting in higher Joule heat generation. The model equations consider the Navier-Stokes equation for incompressible fluids, the energy equation for stationary temperature fields, and the mass transfer equation for the electrokinetic flow. The simulations were embedded in commercial ANSYS Fluent software and in open-source environment openFOAM. The annular gap (1 mm width) contained an inorganic C8 reverse-phase monolith as stationary phase prepared by an in situ sol-gel process. The process temperature generated by Joule heating was determined by thermal camera system. The local hydrodynamics in the prototype was detected by a gravimetric contact-free measurement method and experimental and simulated values matched quite well. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A study of tensile test on open-cell aluminum foam sandwich

NASA Astrophysics Data System (ADS)

Ibrahim, N. A.; Hazza, M. H. F. Al; Adesta, E. Y. T.; Abdullah Sidek, Atiah Bt.; Endut, N. A.

2018-01-01

Aluminum foam sandwich (AFS) panels are one of the growing materials in the various industries because of its lightweight behavior. AFS also known for having excellent stiffness to weight ratio and high-energy absorption. Due to their advantages, many researchers’ shows an interest in aluminum foam material for expanding the use of foam structure. However, there is still a gap need to be fill in order to develop reliable data on mechanical behavior of AFS with different parameters and analysis method approach. Least of researcher focusing on open-cell aluminum foam and statistical analysis. Thus, this research conducted by using open-cell aluminum foam core grade 6101 with aluminum sheets skin tested under tension. The data is analyzed using full factorial in JMP statistical analysis software (version 11). ANOVA result show a significant value of the model which less than 0.500. While scatter diagram and 3D plot surface profiler found that skins thickness gives a significant impact to stress/strain value compared to core thickness.

Physiology and growth of advance Picea rubens and Abies balsamea regeneration following different canopy openings.

PubMed

Dumais, Daniel; Prévost, Marcel

2014-02-01

We examined the ecophysiology and growth of 0.3-1.3 m tall advance red spruce (Picea rubens Sarg.) and balsam fir (Abies balsamea [L.] Mill.) regeneration during a 5-year period following the application of different harvest types producing three sizes of canopy openings: (i) small gaps (<100 m(2) in area; SMA) created by partial uniform single-tree harvest; (ii) irregular gaps of intermediate size (100-300 m(2); INT) created by group-selection harvest (removal of groups of trees, mainly balsam fir, with uniform partial removal between groups); and (iii) large circular gaps (700 m(2); LAR) created by patch-selection harvest (removal of trees in 30-m diameter circular areas with uniform partial removal between gaps). An unharvested control (CON) was monitored for comparison. At the ecophysiological level, we mainly found differences in light-saturated photosynthesis of red spruce and specific leaf area of balsam fir among treatments. Consequently, we observed good height growth of both species in CON and INT, but fir surpassed spruce in SMA and LAR. Results suggest that intermediate 100-300 m(2) irregular openings create microenvironmental conditions that may promote short-term ecophysiology and growth of red spruce, allowing the species to compete with balsam fir advance regeneration. Finally, results observed for spruce in large 700-m(2) openings confirm its inability to grow as rapidly as fir in comparable open conditions.

Simple Experimental Verification of the Relation between the Band-Gap Energy and the Energy of Photons Emitted by LEDs

ERIC Educational Resources Information Center

Precker, Jurgen W.

2007-01-01

The wavelength of the light emitted by a light-emitting diode (LED) is intimately related to the band-gap energy of the semiconductor from which the LED is made. We experimentally estimate the band-gap energies of several types of LEDs, and compare them with the energies of the emitted light, which ranges from infrared to white. In spite of…

Inner edge magnetisms in carbon honeycombs

NASA Astrophysics Data System (ADS)

Liu, Xiaofei; Guo, Wanlin

2018-04-01

We show by comprehensive ab initio calculations that sp2 carbon honeycombs recently synthesised by Krainyukova et al. [Phys. Rev. Lett. 116, 055501 (2016)] exhibit antiferromagnetism, not only at the inner edge of the zigzag ribbon component but also at the chain of sp2 carbon that joins three zigzag ribbons. The π antiferromagnetism at the joint chain has spin orientations that alternatively change along the axis and stems from a super-exchange mechanism. Along with the spin-polarization, the joint chain conduction channel opens an energy gap. The spin-polarization of the zigzag edge due to the magnetic instability of the localized edge states is less stable in energy. Through hole doping, the zigzag edge antiferromagnetism is enhanced and stabilized as the magnetic ground state, along with the re-opening of the joint chain conduction channel. When the carbon honeycombs are reconstructed into sp3-sp2 hybrid honeycombs, the π states of the joint are diminished, but the zigzag edge magnetism is preserved. Our results propose carbon honeycombs as novel magnetic carbon with competing polarization configurations.

Chemically modulated graphene quantum dot for tuning the photoluminescence as novel sensory probe

NASA Astrophysics Data System (ADS)

Hwang, Eunhee; Hwang, Hee Min; Shin, Yonghun; Yoon, Yeoheung; Lee, Hanleem; Yang, Junghee; Bak, Sora; Lee, Hyoyoung

2016-12-01

A band gap tuning of environmental-friendly graphene quantum dot (GQD) becomes a keen interest for novel applications such as photoluminescence (PL) sensor. Here, for tuning the band gap of GQD, a hexafluorohydroxypropanyl benzene (HFHPB) group acted as a receptor of a chemical warfare agent was chemically attached on the GQD via the diazonium coupling reaction of HFHPB diazonium salt, providing new HFHPB-GQD material. With a help of the electron withdrawing HFHPB group, the energy band gap of the HFHPB-GQD was widened and its PL decay life time decreased. As designed, after addition of dimethyl methyl phosphonate (DMMP), the PL intensity of HFHPB-GQD sensor sharply increased up to approximately 200% through a hydrogen bond with DMMP. The fast response and short recovery time was proven by quartz crystal microbalance (QCM) analysis. This HFHPB-GQD sensor shows highly sensitive to DMMP in comparison with GQD sensor without HFHPB and graphene. In addition, the HFHPB-GQD sensor showed high selectivity only to the phosphonate functional group among many other analytes and also stable enough for real device applications. Thus, the tuning of the band gap of the photoluminescent GQDs may open up new promising strategies for the molecular detection of target substrates.

Chemically modulated graphene quantum dot for tuning the photoluminescence as novel sensory probe

PubMed Central

Hwang, Eunhee; Hwang, Hee Min; Shin, Yonghun; Yoon, Yeoheung; Lee, Hanleem; Yang, Junghee; Bak, Sora; Lee, Hyoyoung

2016-01-01

A band gap tuning of environmental-friendly graphene quantum dot (GQD) becomes a keen interest for novel applications such as photoluminescence (PL) sensor. Here, for tuning the band gap of GQD, a hexafluorohydroxypropanyl benzene (HFHPB) group acted as a receptor of a chemical warfare agent was chemically attached on the GQD via the diazonium coupling reaction of HFHPB diazonium salt, providing new HFHPB-GQD material. With a help of the electron withdrawing HFHPB group, the energy band gap of the HFHPB-GQD was widened and its PL decay life time decreased. As designed, after addition of dimethyl methyl phosphonate (DMMP), the PL intensity of HFHPB-GQD sensor sharply increased up to approximately 200% through a hydrogen bond with DMMP. The fast response and short recovery time was proven by quartz crystal microbalance (QCM) analysis. This HFHPB-GQD sensor shows highly sensitive to DMMP in comparison with GQD sensor without HFHPB and graphene. In addition, the HFHPB-GQD sensor showed high selectivity only to the phosphonate functional group among many other analytes and also stable enough for real device applications. Thus, the tuning of the band gap of the photoluminescent GQDs may open up new promising strategies for the molecular detection of target substrates. PMID:27991584

DOE Office of Scientific and Technical Information (OSTI.GOV)

Popov, Emilian L.; Pointer, William David

This work assesses the influence of assumptions made when generating a mesh of a wire-wrappedgeometry. The contact region between a wire and its adjacent pin is commonly modeled by eitherembedding the wire to the adjacent pin or trimming the wire so that a gap separates the wire from itsadjacent pin. These models are referred to as close-gap and open-gap approaches herein and are applied totwo geometries. The first geometry consists of a single pin wire-wrapped subchannel. A polyhedral meshand a hexahedral mesh are generated. The second and third geometry are a 7-pin and a 19-pinwire-wrapped bundles meshed with polyhedral elementsmore » only. Pressure drops are obtained with theSTAR-CCM+computational fluid dynamic package. Sensitivity analyses of the mesh density, the meshtype, and the turbulent models are performed. Numerical results show that the best match to theexperimental data and to the Cheng-Todreas correlation is obtained with the combination of a hexahedralmesh, the shear stress transport (SST) turbulent model, and the open-gap approach. In the case of the 7-pingeometry, the best results are obtained with the open-gap approach and the SST turbulent model. The19-pin geometry yields contradictory results to the 7-pin geometry results, and thus will require furtherinvestigations.« less

Superconducting states of topological surface states in β-PdBi2 investigated by STM/STS

NASA Astrophysics Data System (ADS)

Iwaya, Katsuya; Okawa, Kenjiro; Hanaguri, Tetsuo; Kohsaka, Yuhki; Machida, Tadashi; Sasagawa, Takao

We investigate superconducting (SC) states of topological surface states in β-PdBi2 using very low temperature STM. Characteristic quasiparticle interference patterns strongly support the existence of the spin-polarized surface states at the Fermi level in the normal state. A fully-opened SC gap well described by the conventional BCS model is observed, indicating the SC gap opening at the spin-polarized Fermi surfaces. Considering a possible mixing of odd- and even parity orbital functions in C4v group symmetry lowered from D4h near the surface, we suggest that the SC gap consists of the mixture of s- and p-wave SC gap functions in the two-dimensional state.

The dilemma of gaps in carbonate stratigraphic sequences: A case history from the Jurassic of the Venetian Alps, Italy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zempolich, W.G.

The Lower Ammonitico Rosso (L.A.R.) of the western Venetian Alps is a thin, red nodular limestone that overlies a thick Late Triassic to Middle Jurassic (Aalenian) shallow-water platform sequence. It is thought to represent a Middle Jurassic (Bajocian) drowning event whereby the Trento Platform became a submerged plateau. The L.A.R. is problematic in that it (1) is rich in ammonites and other pelagic fauna; (2) contains stromatolites, oncolites, and shallow-water sedimentary structures; and (3) directly overlies platform sediments that contain complex brecciated fabrics filled by cement and Bajocian-age sediment. These seemingly contradictory features have generated much debate as to themore » sequence stratigraphy of the Trento Platform. New evidence suggests that the L.A.R. was deposited in a shallow-water environment following a period of subaerial exposure. In an east-west transect from the platform edge to platform interior, a clear transition is exhibited from high- and low-energy open-marine facies to restricted lagoonal facies. High-energy open-marine facies include well-sorted skeletal- and peloidal-rich sands possessing low-angle to planar cross stratification and thin, fairly sorted ammonite- and belemnite-rich gravels. Sands include both shallow-water and pelagic fauna; gravels commonly contain ripup clasts from underlying sediments. Low-energy open-marine facies consist of buff colored wackestones and packstones that contain ammonites, belemnites, pelagic bivalves, and peloids. With respect to paleogeography, the abrupt transition from open-marine facies at the platform edge to lagoonal facies in the platform interior indicates that thrombolites, stromatolites, and oncolites accumulated in a shallow restricted environment.« less

The Next Breakthrough for Organic Photovoltaics?

PubMed

Jackson, Nicholas E; Savoie, Brett M; Marks, Tobin J; Chen, Lin X; Ratner, Mark A

2015-01-02

While the intense focus on energy level tuning in organic photovoltaic materials has afforded large gains in device performance, we argue here that strategies based on microstructural/morphological control are at least as promising in any rational design strategy. In this work, a meta-analysis of ∼150 bulk heterojunction devices fabricated with different materials combinations is performed and reveals strong correlations between power conversion efficiency and morphology-dominated properties (short-circuit current, fill factor) and surprisingly weak correlations between efficiency and energy level positioning (open-circuit voltage, enthalpic offset at the interface, optical gap). While energy level positioning should in principle provide the theoretical maximum efficiency, the optimization landscape that must be navigated to reach this maximum is unforgiving. Thus, research aimed at developing understanding-based strategies for more efficient optimization of an active layer microstructure and morphology are likely to be at least as fruitful.

Defining the Lower Limit of a "Critical Bone Defect" in Open Diaphyseal Tibial Fractures.

PubMed

Haines, Nikkole M; Lack, William D; Seymour, Rachel B; Bosse, Michael J

2016-05-01

To determine healing outcomes of open diaphyseal tibial shaft fractures treated with reamed intramedullary nailing (IMN) with a bone gap of 10-50 mm on ≥50% of the cortical circumference and to better define a "critical bone defect" based on healing outcome. Retrospective cohort study. Forty patients, age 18-65, with open diaphyseal tibial fractures with a bone gap of 10-50 mm on ≥50% of the circumference as measured on standard anteroposterior and lateral postoperative radiographs treated with IMN. IMN of an open diaphyseal tibial fracture with a bone gap. Level-1 trauma center. Healing outcomes, union or nonunion. Forty patients were analyzed. Twenty-one (52.5%) went on to nonunion and nineteen (47.5%) achieved union. Radiographic apparent bone gap (RABG) and infection were the only 2 covariates predicting nonunion outcome (P = 0.046 for infection). The RABG was determined by measuring the bone gap on each cortex and averaging over 4 cortices. Fractures achieving union had a RABG of 12 ± 1 mm versus 20 ± 2 mm in those going on to nonunion (P < 0.01). This remained significant when patients with infection were removed. Receiver operator characteristic analysis demonstrated that RABG was predictive of outcome (area under the curve of 0.79). A RABG of 25 mm was the statistically optimal threshold for prediction of healing outcome. Patients with open diaphyseal tibial fractures treated with IMN and a <25 mm RABG have a reasonable probability of achieving union without additional intervention, whereas those with larger gaps have a higher probability of nonunion. Research investigating interventions for RABGs should use a predictive threshold for defining a critical bone defect that is associated with greater than 50% risk of nonunion without supplementary treatment. Prognostic Level III. See Instructions for Authors for a complete description of levels of evidence.

Ultrafast carrier thermalization and trapping in silicon-germanium alloy probed by extreme ultraviolet transient absorption spectroscopy

DOE PAGES

Zürch, Michael; Chang, Hung-Tzu; Kraus, Peter M.; ...

2017-06-06

Semiconductor alloys containing silicon and germanium are of growing importance for compact and highly efficient photonic devices due to their favorable properties for direct integration into silicon platforms and wide tunability of optical parameters. Here, we report the simultaneous direct and energy-resolved probing of ultrafast electron and hole dynamics in a silicon-germanium alloy with the stoichiometry Si 0.25Ge 0.75 by extreme ultraviolet transient absorption spectroscopy. Probing the photoinduced dynamics of charge carriers at the germanium M 4,5-edge (~30 eV) allows the germanium atoms to be used as reporter atoms for carrier dynamics in the alloy. The photoexcitation of electrons acrossmore » the direct and indirect band gap into conduction band (CB) valleys and their subsequent hot carrier relaxation are observed and compared to pure germanium, where the Ge direct (ΔE gap,Ge,direct = 0.8 eV) and Si 0.25Ge 0.75 indirect gaps (ΔE gap,Si0.25Ge0.75,indirect = 0.95 eV) are comparable in energy. In the alloy, comparable carrier lifetimes are observed for the X, L, and Γ valleys in the conduction band. A midgap feature associated with electrons accumulating in trap states near the CB edge following intraband thermalization is observed in the Si 0.25Ge 0.75 alloy. The successful implementation of the reporter atom concept for capturing the dynamics of the electronic bands by site-specific probing in solids opens a route to study carrier dynamics in more complex materials with femtosecond and sub-femtosecond temporal resolution.« less

Phonovoltaic. III. Electron-phonon coupling and figure of merit of graphene:BN

NASA Astrophysics Data System (ADS)

Melnick, Corey; Kaviany, Massoud

2016-12-01

The phonovoltaic cell harvests optical phonons like a photovoltaic harvests photons, that is, a nonequilibrium (hot) population of optical phonons (at temperature Tp ,O) more energetic than the band gap produces electron-hole pairs in a p -n junction, which separates these pairs to produce power. A phonovoltaic material requires an optical phonon mode more energetic than its band gap and much more energetic than the thermal energy (Ep ,O>Δ Ee ,g≫kBT ), which relaxes by generating electrons and power (at rate γ˙e -p) rather than acoustic phonons and heat (at rate γ˙p -p). Graphene (h-C) is the most promising material candidate: when its band gap is tuned to its optical phonon energy without greatly reducing the electron-phonon (e -p ) coupling, it reaches a substantial figure of merit [ZpV=Δ Ee ,gγ˙e -p/Ep ,O(γ˙e -p+γ˙p -p) ≈0.8 ] . A simple tight-binding (TB) model presented here predicts that lifting the sublattice symmetry of graphene in order to open a band gap proscribes the e -p interaction at the band edge, such that γ˙e -p→0 as Δ Ee ,g→Ep ,O . However, ab initio (DFT-LDA) simulations of layered h-C/BN and substitutional h-C:BN show that the e -p coupling remains substantial in these asymmetric crystals. Indeed, h-C:BN achieves a high figure of merit (ZpV≈0.6 ). At 300 K and for a Carnot limit of 0.5 (Tp ,O=600 K) , a h-C:BN phonovoltaic can reach an efficiency of ηpV≈0.2 , double the thermoelectric efficiency (Z T ≈1 ) under similar conditions.

Ultrafast carrier thermalization and trapping in silicon-germanium alloy probed by extreme ultraviolet transient absorption spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zürch, Michael; Chang, Hung-Tzu; Kraus, Peter M.

Semiconductor alloys containing silicon and germanium are of growing importance for compact and highly efficient photonic devices due to their favorable properties for direct integration into silicon platforms and wide tunability of optical parameters. Here, we report the simultaneous direct and energy-resolved probing of ultrafast electron and hole dynamics in a silicon-germanium alloy with the stoichiometry Si 0.25Ge 0.75 by extreme ultraviolet transient absorption spectroscopy. Probing the photoinduced dynamics of charge carriers at the germanium M 4,5-edge (~30 eV) allows the germanium atoms to be used as reporter atoms for carrier dynamics in the alloy. The photoexcitation of electrons acrossmore » the direct and indirect band gap into conduction band (CB) valleys and their subsequent hot carrier relaxation are observed and compared to pure germanium, where the Ge direct (ΔE gap,Ge,direct = 0.8 eV) and Si 0.25Ge 0.75 indirect gaps (ΔE gap,Si0.25Ge0.75,indirect = 0.95 eV) are comparable in energy. In the alloy, comparable carrier lifetimes are observed for the X, L, and Γ valleys in the conduction band. A midgap feature associated with electrons accumulating in trap states near the CB edge following intraband thermalization is observed in the Si 0.25Ge 0.75 alloy. The successful implementation of the reporter atom concept for capturing the dynamics of the electronic bands by site-specific probing in solids opens a route to study carrier dynamics in more complex materials with femtosecond and sub-femtosecond temporal resolution.« less

Lifetime Measurement of Nickel-58 Using RDM with GRETINA

NASA Astrophysics Data System (ADS)

Loelius, Charles

2014-09-01

The structure of nuclei near the doubly magic 56Ni has provided a sensitive probe of configuration mixing across the N=Z=28 shell gap. The shell model description of nuclei in this region is well established, with the gxpf1 interaction accurately reproducing the energy levels and transition strengths of Nuclei in the vicinity of 56Ni. However, there remain open questions as to the effects of higher lying orbitals beyond the pf shell. These can be addressed by a study of the B(E2)'s of nuclei in near the shell gap, particularly the B(E2;4+ -->2+) where effects of high l orbitals may be enhanced. 58Ni provides a strong candidate for study, as the only previous B(E2;4+ -->2+) measurement using the Doppler Shift Attenuation Method resulted in a B(E2) three times larger than that predicted by theory. In order to determine the possible effects of higher lying orbitals, a second measurement of the lifetime of 58Ni was undertaken at the National Superconducting Cyclotron Laboratory using the the Gamma-Ray Energy Tracking in Beam Nuclear Array (GRETINA) and the Recoil Distance Method (RDM). Preliminary results of this measurement will be presented.

First-principles investigation of graphitic carbon nitride monolayer with embedded Fe atom

NASA Astrophysics Data System (ADS)

Abdullahi, Yusuf Zuntu; Yoon, Tiem Leong; Halim, Mohd Mahadi; Hashim, Md. Roslan; Lim, Thong Leng

2018-01-01

Density-functional theory (DFT) calculations with spin-polarized generalized gradient approximation and Hubbard U correction are carried out to investigate the mechanical, structural, electronic and magnetic properties of graphitic heptazine with embedded Fe atom under bi-axial tensile strain and applied perpendicular electric field. It was found that the binding energy of heptazine with embedded Fe atom system decreases as larger tensile strain is applied, while it increases as larger electric field strength is applied. Our calculations also predict a band gap at a peak value of 5% tensile strain but at expense of the structural stability of the system. The band gap open up at 5% tensile strain is due to distortion in the structure caused by the repulsive effect in the cavity between the lone pairs of the edge nitrogen atoms and dxy /dx2 -y2 orbital of Fe atom, forcing the unoccupied pz- orbital is forced to shift toward higher energy. The electronic and magnetic properties of the heptazine with embedded Fe system under perpendicular electric field up to a peak value of 8 V/nm is also well preserved despite an obvious buckled structure. Such properties are desirable for diluted magnetic semiconductors, spintronics, and sensing devices.

The spin-partitioned total position-spread tensor: An application to Heisenberg spin chains

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fertitta, Edoardo; Paulus, Beate; El Khatib, Muammar

2015-12-28

The spin partition of the Total Position-Spread (TPS) tensor has been performed for one-dimensional Heisenberg chains with open boundary conditions. Both the cases of a ferromagnetic (high-spin) and an anti-ferromagnetic (low-spin) ground-state have been considered. In the case of a low-spin ground-state, the use of alternating magnetic couplings allowed to investigate the effect of spin-pairing. The behavior of the spin-partitioned TPS (SP-TPS) tensor as a function of the number of sites turned to be closely related to the presence of an energy gap between the ground-state and the first excited-state at the thermodynamic limit. Indeed, a gapped energy spectrum ismore » associated to a linear growth of the SP-TPS tensor with the number of sites. On the other hand, in gapless situations, the spread presents a faster-than-linear growth, resulting in the divergence of its per-site value. Finally, for the case of a high-spin wave function, an analytical expression of the dependence of the SP-TPS on the number of sites n and the total spin-projection S{sub z} has been derived.« less

Electron band structure of the high pressure cubic phase of AlH3

NASA Astrophysics Data System (ADS)

Shi, Hongliang; Zarifi, Niliffar; Yim, Wai-Leung; Tse, J. S.

2012-07-01

The electronic band structure of the cubic Pm3n phase of AlH3 stable above 100 GPa is examined with semi-local, Tran-Blaha modified Becke-Johnson local density approximation (TB-mBJLDA), screened hybrid density functionals and GW methods. The shift of the conduction band to higher energy with increasing pressure is predicted by all methods. However, there are significant differences in detail band structure. In the pressure range from 90 to160 GPa, semi-local, hybrid functional and TB-mBJLDA calculations predicted that AlH3 is a poor metal. In comparison, GW calculations show a gap opening at 160 GPa and AlH3 becomes a small gap semi-conductor. From the trends of the calculated band shifts, it can be concluded that the favourable conditions leading to the nesting of Fermi surfaces predicted by semi-local calculation have disappeared if the exchange term is included. The results highlight the importance of the correction to the exchange energy on the band structure of hydrogen dominant dense metal hydrides at high pressure hydrides and may help to rationalize the absence of superconductivity in AlH3 from experimental measurements.

Room-temperature ballistic transport in III-nitride heterostructures.

PubMed

Matioli, Elison; Palacios, Tomás

2015-02-11

Room-temperature (RT) ballistic transport of electrons is experimentally observed and theoretically investigated in III-nitrides. This has been largely investigated at low temperatures in low band gap III-V materials due to their high electron mobilities. However, their application to RT ballistic devices is limited by their low optical phonon energies, close to KT at 300 K. In addition, the short electron mean-free-path at RT requires nanoscale devices for which surface effects are a limitation in these materials. We explore the unique properties of wide band-gap III-nitride semiconductors to demonstrate RT ballistic devices. A theoretical model is proposed to corroborate experimentally their optical phonon energy of 92 meV, which is ∼4× larger than in other III-V semiconductors. This allows RT ballistic devices operating at larger voltages and currents. An additional model is described to determine experimentally a characteristic dimension for ballistic transport of 188 nm. Another remarkable property is their short carrier depletion at device sidewalls, down to 13 nm, which allows top-down nanofabrication of very narrow ballistic devices. These results open a wealth of new systems and basic transport studies possible at RT.

Effects of spin excitons on the surface states of SmB 6 : A photoemission study

DOE PAGES

Arab, Arian; Gray, A. X.; Nemšák, S.; ...

2016-12-12

We present the results of a high-resolution valence-band photoemission spectroscopic study of SmB 6 which shows evidence for a V-shaped density of states of surface origin within the bulk gap. The spectroscopy data are interpreted in terms of the existence of heavy 4 f surface states, which may be useful in resolving the controversy concerning the disparate surface Fermi-surface velocities observed in experiments. Most importantly, we find that the temperature dependence of the valence-band spectrum indicates that a small feature appears at a binding energy of about - 9 meV at low temperatures. We also attribute this feature tomore » a resonance caused by the spin-exciton scattering in SmB 6 which destroys the protection of surface states due to time-reversal invariance and spin-momentum locking. Thus, the existence of a low-energy spin exciton may be responsible for the scattering, which suppresses the formation of coherent surface quasiparticles and the appearance of the saturation of the resistivity to temperatures much lower than the coherence temperature associated with the opening of the bulk gap.« less

New high Tc multiferroics KBiFe2O5 with narrow band gap and promising photovoltaic effect

PubMed Central

Zhang, Ganghua; Wu, Hui; Li, Guobao; Huang, Qingzhen; Yang, Chongyin; Huang, Fuqiang; Liao, Fuhui; Lin, Jianhua

2013-01-01

Intrinsic polarization of ferroelectrics (FE) helps separate photon-generated charge carriers thus enhances photovoltaic effects. However, traditional FE with transition-metal cations (M) of d0 electron in MO6 network typically has a band gap (Eg) exceeding 3.0 eV. Although a smaller Eg (2.6 eV) can be obtained in multiferroic BiFeO3, the value is still too high for optimal solar energy applications. Computational “materials genome” searches have predicted several exotic MO6 FE with Eg < 2.0 eV, all thus far unconfirmed because of synthesis difficulties. Here we report a new FE compound with MO4 tetrahedral network, KBiFe2O5, which features narrow Eg (1.6 eV), high Curie temperature (Tc ~ 780 K) and robust magnetic and photoelectric activities. The high photovoltage (8.8 V) and photocurrent density (15 μA/cm2) were obtained, which is comparable to the reported BiFeO3. This finding may open a new avenue to discovering and designing optimal FE compounds for solar energy applications. PMID:23405279

Unassisted Water Splitting Using a GaSb xP (1- x ) Photoanode

DOE PAGES

Martinez-Garcia, Alejandro; Russell, Harry B.; Paxton, William; ...

2018-02-21

Here in this work, unbiased water splitting with 2% solar-to-hydrogen efficiency under AM 1.5 G illumination using new materials based on GaSb 0.03P 0.97 alloy is reported. Freestanding GaSb xP 1-x is grown using halide vapor phase epitaxy. The native conductivity type of the alloy is modified by silicon doping, resulting in an open-circuit potential (OCP) of 750 mV, photocurrents of 7 mA cm -2 at 10 sun illumination, and corrosion resistance in an aqueous acidic environment. Alloying GaP with Sb at 3 at% improves the absorption of high-energy photons above 2.68 eV compared to pure GaP material. Electrochemical Impedancemore » Spectroscopy and illuminated OCP measurements show that the conduction band of GaSb xP 1-x is at -0.55 V versus RHE irrespective of the Sb concentration, while photocurrent spectroscopy indicates that only radiation with photon energies greater than 2.68 eV generate mobile and extractable charges, thus suggesting that the higher-laying conduction bands in the Γ 1 valley of the alloys are responsible for exciton generation.« less

Unassisted Water Splitting Using a GaSb xP (1- x ) Photoanode

DOE Office of Scientific and Technical Information (OSTI.GOV)

Martinez-Garcia, Alejandro; Russell, Harry B.; Paxton, William

Here in this work, unbiased water splitting with 2% solar-to-hydrogen efficiency under AM 1.5 G illumination using new materials based on GaSb 0.03P 0.97 alloy is reported. Freestanding GaSb xP 1-x is grown using halide vapor phase epitaxy. The native conductivity type of the alloy is modified by silicon doping, resulting in an open-circuit potential (OCP) of 750 mV, photocurrents of 7 mA cm -2 at 10 sun illumination, and corrosion resistance in an aqueous acidic environment. Alloying GaP with Sb at 3 at% improves the absorption of high-energy photons above 2.68 eV compared to pure GaP material. Electrochemical Impedancemore » Spectroscopy and illuminated OCP measurements show that the conduction band of GaSb xP 1-x is at -0.55 V versus RHE irrespective of the Sb concentration, while photocurrent spectroscopy indicates that only radiation with photon energies greater than 2.68 eV generate mobile and extractable charges, thus suggesting that the higher-laying conduction bands in the Γ 1 valley of the alloys are responsible for exciton generation.« less

Density-functional energy gaps of solids demystified

NASA Astrophysics Data System (ADS)

Perdew, John P.; Ruzsinszky, Adrienn

2018-06-01

The fundamental energy gap of a solid is a ground-state second energy difference. Can one find the fundamental gap from the gap in the band structure of Kohn-Sham density functional theory? An argument of Williams and von Barth (WB), 1983, suggests that one can. In fact, self-consistent band-structure calculations within the local density approximation or the generalized gradient approximation (GGA) yield the fundamental gap within the same approximation for the energy. Such a calculation with the exact density functional would yield a band gap that also underestimates the fundamental gap, because the exact Kohn-Sham potential in a solid jumps up by an additive constant when one electron is added, and the WB argument does not take this effect into account. The WB argument has been extended recently to generalized Kohn-Sham theory, the simplest way to implement meta-GGAs and hybrid functionals self-consistently, with an exchange-correlation potential that is a non-multiplication operator. Since this operator is continuous, the band gap is again the fundamental gap within the same approximation, but, because the approximations are more realistic, so is the band gap. What approximations might be even more realistic?

Gap formation by inclined massive planets in locally isothermal three-dimensional discs

NASA Astrophysics Data System (ADS)

Chametla, Raúl O.; Sánchez-Salcedo, F. J.; Masset, F. S.; Hidalgo-Gámez, A. M.

2017-07-01

We study gap formation in gaseous protoplanetary discs by a Jupiter mass planet. The planet's orbit is circular and inclined relative to the mid-plane of the disc. We use the impulse approximation to estimate the gravitational tidal torque between the planet and the disc, and infer the gap profile. For low-mass discs, we provide a criterion for gap opening when the orbital inclination is ≤30°. Using the fargo3d code, we simulate the disc response to an inclined massive planet. The dependence of the depth and width of the gap obtained in the simulations on the inclination of the planet is broadly consistent with the scaling laws derived in the impulse approximation. Although we mainly focus on planets kept on fixed orbits, the formalism permits to infer the temporal evolution of the gap profile in the cases where the inclination of the planet changes with time. This study may be useful to understand the migration of massive planets on inclined orbit, because the strength of the interaction with the disc depends on whether a gap is opened or not.

Cooled airfoil in a turbine engine

DOEpatents

Vitt, Paul H; Kemp, David A; Lee, Ching-Pang; Marra, John J

2015-04-21

An airfoil in a gas turbine engine includes an outer wall and an inner wall. The outer wall includes a leading edge, a trailing edge opposed from the leading edge in a chordal direction, a pressure side, and a suction side. The inner wall is coupled to the outer wall at a single chordal location and includes portions spaced from the pressure and suction sides of the outer wall so as to form first and second gaps between the inner wall and the respective pressure and suction sides. The inner wall defines a chamber therein and includes openings that provide fluid communication between the respective gaps and the chamber. The gaps receive cooling fluid that provides cooling to the outer wall as it flows through the gaps. The cooling fluid, after traversing at least substantial portions of the gaps, passes into the chamber through the openings in the inner wall.

On the chemical enhancement in SERS

NASA Astrophysics Data System (ADS)

Jensen, Lasse

2012-12-01

In Surface-enhanced Raman scattering (SERS), the Raman signal of a molecule adsorbed on a metal surface is enhanced by many orders of magnitude. This provides a "finger-print" of molecules which can be used in ultrasensitive sensing devises. Here we present a time-dependent density functional theory (TDDFT) study of the molecule-surface chemical coupling in SERS. A systematic study of the chemical enhancement (CHEM) of meta-and para-substituted pyridines interacting with a small silver cluster (Ag20) is presented. We find that the magnitude of chemical enhancement is governed to a large extent by the energy difference between the highest occupied energy level (HOMO) of the metal and the lowest unoccupied energy level (LUMO) of the molecule. A two-state approximation shows that the enhancement scales roughly as (ωX/ω¯e)4, where accent="true">ω¯e is an average excitation energy between the HOMO of the metal and the LUMO of the molecule and wX the HOMO-LUMO gap of the free molecule. Furthermore, we demonstrate that it is possible to control the CHEM enhancement by switching a dithienylethene photoswitch from its closed form to its open form. The open form of the photoswitch is found to be the strongest Raman scatterer when adsorbed on the surface whereas the opposite is found for the free molecule. This trend is explained using the simple two-state approximation.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sorokina, Veronika, E-mail: ansonika@mail.ru; Nikiforov, Konstantin, E-mail: knikiforov@cc.spbu.ru

Studying emission characteristics of nanotubes is extremely important for development of electronics. Compared to other electron sources nanotube-based field emitters allow obtaining significant emission currents at relatively low values of the applied field. It is possible due to their unique structure. This article is devoted to theoretical investigation how external electric field effects several samples of open single-wall nanotubes from carbon and silicon carbide. Total energies, dipole moments and band gaps for five types of nanotubes were calculated from the first principles. The numerical experiment results indicate the adequacy of modeling. It was concluded that considered configurations of achiral carbonmore » nanotubes should be semiconductors.« less

Electronic Transport Through Carbon Nanotubes: Effects of Structural Deformation and the Tube Chirality

NASA Technical Reports Server (NTRS)

Maiti, Amitesh; Svizhenko, Alexei; Anantram, M. P.; Biegel, Bryan (Technical Monitor)

2001-01-01

Atomistic simulations using a combination of classical force field and Density-Functional-Theory (DFT) show that carbon atoms remain essentially sp2 coordinated in either bent tubes or tubes pushed by an atomically sharp AFM tip. Subsequent Green's-function-based transport calculations reveal that for armchair tubes there is no significant drop in conductance, while for zigzag tubes the conductance can drop by several orders of magnitude in AFM-pushed tubes. The effect can be attributed to simple stretching of the tube under tip deformation, which opens up an energy gap at the Fermi surface.

Dynamic magnetoelectric effect in ferromagnet/superconductor tunnel junctions.

PubMed

Trif, Mircea; Tserkovnyak, Yaroslav

2013-08-23

We study the magnetization dynamics in a ferromagnet/insulator/superconductor tunnel junction and the associated buildup of the electrical polarization. We show that for an open circuit, the induced voltage varies strongly and nonmonotonically with the precessional frequency, and can be enhanced significantly by the superconducting correlations. For frequencies much smaller or much larger than the superconducting gap, the voltage drops to zero, while when these two energy scales are comparable, the voltage is peaked at a value determined by the driving frequency. We comment on the potential utilization of the effect for the low-temperature spatially resolved spectroscopy of magnetic dynamics.

Magnetic field tuning of an excitonic insulator between the weak and strong coupling regimes in quantum limit graphite [Tunable excitonic insulator in quantum limit graphite

DOE PAGES

Zhu, Zengwei; McDonald, R. D.; Shekhter, A.; ...

2017-05-04

Here, the excitonic insulator phase has long been predicted to form in proximity to a band gap opening in the underlying band structure. The character of the pairing is conjectured to crossover from weak (BCS-like) to strong coupling (BEC-like) as the underlying band structure is tuned from the metallic to the insulating side of the gap opening. Here we report the high-magnetic field phase diagram of graphite to exhibit just such a crossover. By way of comprehensive angle-resolved magnetoresistance measurements, we demonstrate that the underlying band gap opening occurs inside the magnetic field-induced phase, paving the way for a systematicmore » study of the BCS-BEC-like crossover by means of conventional condensed matter probes.« less

Magnetic field tuning of an excitonic insulator between the weak and strong coupling regimes in quantum limit graphite [Tunable excitonic insulator in quantum limit graphite

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhu, Zengwei; McDonald, R. D.; Shekhter, A.

Here, the excitonic insulator phase has long been predicted to form in proximity to a band gap opening in the underlying band structure. The character of the pairing is conjectured to crossover from weak (BCS-like) to strong coupling (BEC-like) as the underlying band structure is tuned from the metallic to the insulating side of the gap opening. Here we report the high-magnetic field phase diagram of graphite to exhibit just such a crossover. By way of comprehensive angle-resolved magnetoresistance measurements, we demonstrate that the underlying band gap opening occurs inside the magnetic field-induced phase, paving the way for a systematicmore » study of the BCS-BEC-like crossover by means of conventional condensed matter probes.« less

Designing artificial 2D crystals with site and size controlled quantum dots.

PubMed

Xie, Xuejun; Kang, Jiahao; Cao, Wei; Chu, Jae Hwan; Gong, Yongji; Ajayan, Pulickel M; Banerjee, Kaustav

2017-08-30

Ordered arrays of quantum dots in two-dimensional (2D) materials would make promising optical materials, but their assembly could prove challenging. Here we demonstrate a scalable, site and size controlled fabrication of quantum dots in monolayer molybdenum disulfide (MoS 2 ), and quantum dot arrays with nanometer-scale spatial density by focused electron beam irradiation induced local 2H to 1T phase change in MoS 2 . By designing the quantum dots in a 2D superlattice, we show that new energy bands form where the new band gap can be controlled by the size and pitch of the quantum dots in the superlattice. The band gap can be tuned from 1.81 eV to 1.42 eV without loss of its photoluminescence performance, which provides new directions for fabricating lasers with designed wavelengths. Our work constitutes a photoresist-free, top-down method to create large-area quantum dot arrays with nanometer-scale spatial density that allow the quantum dots to interfere with each other and create artificial crystals. This technique opens up new pathways for fabricating light emitting devices with 2D materials at desired wavelengths. This demonstration can also enable the assembly of large scale quantum information systems and open up new avenues for the design of artificial 2D materials.

Effect of a bearing gap on hemolytic property in a hydrodynamically levitated centrifugal blood pump with a semi-open impeller.

PubMed

Kosaka, Ryo; Nishida, Masahiro; Maruyama, Osamu; Yambe, Tomoyuki; Imachi, Kou; Yamane, Takashi

2013-01-01

We have developed a hydrodynamically levitated centrifugal blood pump with a semi-open impeller for long-term circulatory assist. The pump uses hydrodynamic bearings to enhance durability and reliability without additional displacement-sensors or control circuits. However, a narrow bearing gap of the pump has a potential for hemolysis. The purpose of this study is to develop the hydrodynamically levitated centrifugal blood pump with a semi-open impeller, and to evaluate the effect of a bearing gap on hemolytic property. The impeller levitates using a spiral-groove type thrust bearing, and a herringbone-groove type radial bearing. The pump design was improved by adopting a step type thrust bearing and optimizing the pull-up magnetic force. The pump performance was evaluated by a levitation performance test, a hemolysis test and an animal experiment. In these tests, the bearing gap increased from 1 to 63 μm. In addition, the normalized index of hemolysis (NIH) improved from 0.415 to 0.005 g/100 l, corresponding to the expansion of the bearing gap. In the animal experiment for 24 h, the plasma-free hemoglobin remained within normal ranges (<4.0 mg/dl). We confirmed that the hemolytic property of the pump was improved to the acceptable level by expanding the bearing gap greater than 60 μm.

Aerospace Applications Of High Temperature Superconductivity

NASA Astrophysics Data System (ADS)

Anderson, W. W.

1988-05-01

The existence of superconductors with TcOOK (which implies device operating temper-atures the order of Top ≍45K) opens up a variety of potential applications within the aerospace/defense industry. This is partly due to the existence of well developed cooler technologies to reach this temperature regime and partly due to the present operation of some specialized components at cryogenic temperatures. In particular, LWIR focal planes may operate at 10K with some of the signal processing electronics at an intermediate temperature of 40K. Addition of high Tc superconducting components in the latter system may be "free" in the sense of additional system complexity required. The established techniques for cooling in the 20K to 50K temperature regime are either open cycle, expendable material (stored gas with Joule-Thomson expansion, liquid cryogen or solid cryogen) or mechanical refrigerators (Stirling cycle, Brayton cycle or closed cycle Joule-Thomson). The high Tc materials may also contribute to the development of coolers through magnetically levitated bearings or providing the field for a stage of magnetic refrigeration. The discovery of materials with Tc, 90K has generated a veritable shopping list of applications. The superconductor properties which are of interest for applications are (1) zero resistance, (2) Meissner effect, (3) phase coherence and (4) existence of an energy gap. The zero resistance property is significant in the development of high field magnets requiring neglible power to maintain the field. In addition to the publicized applications to rail guns and electromagnetic launcher, we can think of space born magnets for charged particle shielding or whistler mode propagation through a plasma sheath. Conductor losses dominate attenuation and dispersion in microstrip transmission lines. While the surface impedance of a superconductor is non vanishing, significant improvements in signal transmission may be obtained. The Meissner effect may be utilized for some magnetic shielding applications but the penetration depth and high frequency effects will have to be considered. Phase coherence forms the basis for Josephson junction devices which, in turn are used for mixers, detectors and parametric amplifiers in the microwave/millimeter wave regime and for A/D converters, sampling and switching circuits and voltage standards in electronics. The energy gap has been the basis of optical and IR detection through modulation of the order parameter (or gap energy) by generation of quasi particles.

KSC-2012-5883

NASA Image and Video Library

2012-10-09

VANDENBERG AIR FORCE BASE, Calif. – At Vandenberg Air Force Base in California, technicians install the wing on the Orbital Sciences Corp. Pegasus XL rocket which will launch the Interface Region Imaging Spectrograph, or IRIS, spacecraft. Scheduled for launch from Vandenberg Air Force Base no earlier than Feb. 27, 2013, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. For more information, visit http://iris.gsfc.nasa.gov Photo credit: NASA/Randy Beaudoin

KSC-2013-1784

NASA Image and Video Library

2013-03-05

VANDENBERG AIR FORCE BASE, Calif. – At Vandenberg Air Force Base in California, the three stages of the Orbital Sciences Corp. Pegasus XL rocket have been mated in preparation for the launch the Interface Region Imaging Spectrograph, or IRIS, spacecraft. Scheduled for launch from Vandenberg Air Force Base no earlier than April 29, 2013, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. For more information, visit http://iris.gsfc.nasa.gov Photo credit: NASA/Randy Beaudoin

KSC-2013-2728

NASA Image and Video Library

2013-06-13

VANDENBERG ABF, Calif. - The Orbital Sciences launch team monitors the Pegasus XL rocket that will lift NASA's IRIS solar observatory into orbit as the rocket and payload are moved from a hangar onto a transporter at Vandenberg Air Force Base. IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch from Vandenberg June 26. IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: VAFB/Randy Beaudoin

KSC-2012-5878

NASA Image and Video Library

2012-10-09

VANDENBERG AIR FORCE BASE, Calif. – At Vandenberg Air Force Base in California, technicians prepare to install the wing on the Orbital Sciences Corp. Pegasus XL rocket which will launch the Interface Region Imaging Spectrograph, or IRIS, spacecraft. Scheduled for launch from Vandenberg Air Force Base no earlier than Feb. 27, 2013, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. For more information, visit http://iris.gsfc.nasa.gov Photo credit: NASA/Randy Beaudoin

KSC-2013-1785

NASA Image and Video Library

2013-03-05

VANDENBERG AIR FORCE BASE, Calif. – At Vandenberg Air Force Base in California, the three stages of the Orbital Sciences Corp. Pegasus XL rocket have been mated in preparation for the launch the Interface Region Imaging Spectrograph, or IRIS, spacecraft. Scheduled for launch from Vandenberg Air Force Base no earlier than April 29, 2013, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. For more information, visit http://iris.gsfc.nasa.gov Photo credit: NASA/Randy Beaudoin

KSC-2012-5881

NASA Image and Video Library

2012-10-09

VANDENBERG AIR FORCE BASE, Calif. – At Vandenberg Air Force Base in California, technicians install the wing on the Orbital Sciences Corp. Pegasus XL rocket which will launch the Interface Region Imaging Spectrograph, or IRIS, spacecraft. Scheduled for launch from Vandenberg Air Force Base no earlier than Feb. 27, 2013, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. For more information, visit http://iris.gsfc.nasa.gov Photo credit: NASA/Randy Beaudoin

KSC-2012-5884

NASA Image and Video Library

2012-10-09

VANDENBERG AIR FORCE BASE, Calif. – At Vandenberg Air Force Base in California, technicians install the wing on the Orbital Sciences Corp. Pegasus XL rocket which will launch the Interface Region Imaging Spectrograph, or IRIS, spacecraft. Scheduled for launch from Vandenberg Air Force Base no earlier than Feb. 27, 2013, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. For more information, visit http://iris.gsfc.nasa.gov Photo credit: NASA/Randy Beaudoin

KSC-2012-5887

NASA Image and Video Library

2012-10-09

VANDENBERG AIR FORCE BASE, Calif. – At Vandenberg Air Force Base in California, technicians install the aft skirt on the Orbital Sciences Corp. Pegasus XL rocket which will launch the Interface Region Imaging Spectrograph, or IRIS, spacecraft. Scheduled for launch from Vandenberg Air Force Base no earlier than Feb. 27, 2013, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. For more information, visit http://iris.gsfc.nasa.gov Photo credit: NASA/Randy Beaudoin

KSC-2013-2725

NASA Image and Video Library

2013-06-13

VANDENBERG ABF, Calif. - The Orbital Sciences launch team monitors the Pegasus XL rocket that will lift NASA's IRIS solar observatory into orbit as the rocket and payload are moved from a hangar onto a transporter at Vandenberg Air Force Base. IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch from Vandenberg June 26. IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: VAFB/Randy Beaudoin

KSC-2013-2483

NASA Image and Video Library

2013-05-29

VANDENBERG AFB, Calif. - A mission logo decal for the launch of NASA's IRIS solar observatory aboard an Orbital Sciences Pegasus XL rocket. The decal is on the side of the Pegasus. Engineers are working inside a hangar at Vandenberg Air Force Base where IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch. Scheduled for launch from Vandenberg June 26, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: NASA/Randy Beaudoin

KSC-2012-5885

NASA Image and Video Library

2012-10-09

VANDENBERG AIR FORCE BASE, Calif. – At Vandenberg Air Force Base in California, a technician helps install the wing on the Orbital Sciences Corp. Pegasus XL rocket which will launch the Interface Region Imaging Spectrograph, or IRIS, spacecraft. Scheduled for launch from Vandenberg Air Force Base no earlier than Feb. 27, 2013, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. For more information, visit http://iris.gsfc.nasa.gov Photo credit: NASA/Randy Beaudoin

KSC-2012-5886

NASA Image and Video Library

2012-10-09

VANDENBERG AIR FORCE BASE, Calif. – At Vandenberg Air Force Base in California, technicians install the wing on the Orbital Sciences Corp. Pegasus XL rocket which will launch the Interface Region Imaging Spectrograph, or IRIS, spacecraft. Scheduled for launch from Vandenberg Air Force Base no earlier than Feb. 27, 2013, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. For more information, visit http://iris.gsfc.nasa.gov Photo credit: NASA/Randy Beaudoin

KSC-2013-1786

NASA Image and Video Library

2013-03-06

VANDENBERG AIR FORCE BASE, Calif. – At Vandenberg Air Force Base in California, the three stages of the Orbital Sciences Corp. Pegasus XL rocket have been mated in preparation for the launch the Interface Region Imaging Spectrograph, or IRIS, spacecraft. Scheduled for launch from Vandenberg Air Force Base no earlier than April 29, 2013, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. For more information, visit http://iris.gsfc.nasa.gov Photo credit: NASA/Randy Beaudoin

KSC-2012-5889

NASA Image and Video Library

2012-10-09

VANDENBERG AIR FORCE BASE, Calif. – At Vandenberg Air Force Base in California, technicians install the aft skirt on the Orbital Sciences Corp. Pegasus XL rocket which will launch the Interface Region Imaging Spectrograph, or IRIS, spacecraft. Scheduled for launch from Vandenberg Air Force Base no earlier than Feb. 27, 2013, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. For more information, visit http://iris.gsfc.nasa.gov Photo credit: NASA/Randy Beaudoin

KSC-2013-2484

NASA Image and Video Library

2013-05-29

VANDENBERG AFB, Calif. - A mission logo decal for the launch of NASA's IRIS solar observatory aboard an Orbital Sciences Pegasus XL rocket. The decal is on the side of the Pegasus. Engineers are working inside a hangar at Vandenberg Air Force Base where IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch. Scheduled for launch from Vandenberg June 26, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: NASA/Randy Beaudoin

KSC-2013-2729

NASA Image and Video Library

2013-06-13

VANDENBERG ABF, Calif. - The Orbital Sciences launch team monitors the Pegasus XL rocket that will lift NASA's IRIS solar observatory into orbit as the rocket and payload are moved from a hangar onto a transporter at Vandenberg Air Force Base. IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch from Vandenberg June 26. IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: VAFB/Randy Beaudoin

KSC-2012-5890

NASA Image and Video Library

2012-10-09

VANDENBERG AIR FORCE BASE, Calif. – At Vandenberg Air Force Base in California, technicians install the aft skirt on the Orbital Sciences Corp. Pegasus XL rocket which will launch the Interface Region Imaging Spectrograph, or IRIS, spacecraft. Scheduled for launch from Vandenberg Air Force Base no earlier than Feb. 27, 2013, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. For more information, visit http://iris.gsfc.nasa.gov Photo credit: NASA/Randy Beaudoin

KSC-2012-5879

NASA Image and Video Library

2012-10-09

VANDENBERG AIR FORCE BASE, Calif. – At Vandenberg Air Force Base in California, technicians prepare to install the wing on the Orbital Sciences Corp. Pegasus XL rocket which will launch the Interface Region Imaging Spectrograph, or IRIS, spacecraft. Scheduled for launch from Vandenberg Air Force Base no earlier than Feb. 27, 2013, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. For more information, visit http://iris.gsfc.nasa.gov Photo credit: NASA/Randy Beaudoin

Sensing with Superconducting Point Contacts

PubMed Central

Nurbawono, Argo; Zhang, Chun

2012-01-01

Superconducting point contacts have been used for measuring magnetic polarizations, identifying magnetic impurities, electronic structures, and even the vibrational modes of small molecules. Due to intrinsically small energy scale in the subgap structures of the supercurrent determined by the size of the superconducting energy gap, superconductors provide ultrahigh sensitivities for high resolution spectroscopies. The so-called Andreev reflection process between normal metal and superconductor carries complex and rich information which can be utilized as powerful sensor when fully exploited. In this review, we would discuss recent experimental and theoretical developments in the supercurrent transport through superconducting point contacts and their relevance to sensing applications, and we would highlight their current issues and potentials. A true utilization of the method based on Andreev reflection analysis opens up possibilities for a new class of ultrasensitive sensors. PMID:22778630

Optical study of phase transitions in single-crystalline RuP

NASA Astrophysics Data System (ADS)

Chen, R. Y.; Shi, Y. G.; Zheng, P.; Wang, L.; Dong, T.; Wang, N. L.

2015-03-01

RuP single crystals of MnP-type orthorhombic structure were synthesized by the Sn flux method. Temperature-dependent x-ray diffraction measurements reveal that the compound experiences two structural phase transitions, which are further confirmed by enormous anomalies shown in temperature-dependent resistivity and magnetic susceptibility. Particularly, the resistivity drops monotonically upon temperature cooling below the second transition, indicating that the material shows metallic behavior, in sharp contrast with the insulating ground state of polycrystalline samples. Optical conductivity measurements were also performed in order to unravel the mechanism of these two transitions. The measurement revealed a sudden reconstruction of band structure over a broad energy scale and a significant removal of conducting carriers below the first phase transition, while a charge-density-wave-like energy gap opens below the second phase transition.

KSC-2013-2205

NASA Image and Video Library

2013-04-25

VANDENBERG AIR FORCE BASE, Calif. -- The Interface Region Imaging Spectrograph, or IRIS, is being readied for mating to the Orbital Sciences Corp. Pegasus XL rocket that will launch the spacecraft. A fairing will be fitted to the nose of the Pegasus to protect the spacecraft from atmospheric heating and stress during launch. Upcoming work includes electrical verification testing. IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: VAFB/Randy Beaudoin

KSC-2013-2206

NASA Image and Video Library

2013-04-25

VANDENBERG AIR FORCE BASE, Calif. -- The Interface Region Imaging Spectrograph, or IRIS, is being readied for mating to the Orbital Sciences Corp. Pegasus XL rocket that will launch the spacecraft. A fairing will be fitted to the nose of the Pegasus to protect the spacecraft from atmospheric heating and stress during launch. Upcoming work includes electrical verification testing. IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: VAFB/Randy Beaudoin

KSC-2013-2203

NASA Image and Video Library

2013-04-25

VANDENBERG AIR FORCE BASE, Calif. -- The Interface Region Imaging Spectrograph, or IRIS, is being readied for mating to the Orbital Sciences Corp. Pegasus XL rocket that will launch the spacecraft. IRIS will be covered in a fairing after it's connected to the nose of the Pegasus to protect the spacecraft from atmospheric heating and stress during launch. Upcoming work includes electrical verification testing. IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: VAFB/Randy Beaudoin

KSC-2013-2207

NASA Image and Video Library

2013-04-25

VANDENBERG AIR FORCE BASE, Calif. -- The Interface Region Imaging Spectrograph, or IRIS, is being readied for mating to the Orbital Sciences Corp. Pegasus XL rocket that will launch the spacecraft. A fairing will be fitted to the nose of the Pegasus to protect the spacecraft from atmospheric heating and stress during launch. Upcoming work includes electrical verification testing. IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: VAFB/Randy Beaudoin

Electronic transport in armchair graphene nanoribbon under double magnetic barrier modulation

NASA Astrophysics Data System (ADS)

Wang, Haiyan; Wu, Chao; Xie, Fang; Zhang, Xiaojiao; Zhou, Guanghui

2018-03-01

We present a theoretical investigation of the transport properties and the magnetoresistance effect in armchair graphene nanoribbons (AGNRs) under modulation by two magnetic barriers. The energy levels are found to be degenerate for a metallic AGNR but are not degenerate for a semiconducting AGNR. However, the conductance characteristics show quantized plateaus in both the metallic and semiconducting cases. When the magnetization directions of the barriers change from parallel to antiparallel, the conductance plateau in the metallic AGNR shows a degenerate feature due to matching between the transport modes in different regions. As the barrier height increases, the conductance shows more oscillatory behavior with sharp peaks and troughs. Specifically, the initial position of nonzero conductance for the metallic AGNR system moves towards a higher energy regime, which indicates that an energy gap has been opened. In addition, the magnetoresistance ratio also shows plateau structures in certain specific energy regions. These results may be useful in the design of electron devices based on AGNR nanostructures.

Gap opening by gas accretion and influence on planet populations

NASA Astrophysics Data System (ADS)

Crida, A.; Bitsch, B.; Ndugu, N.; Morbidelli, A.

2017-09-01

Giant planets grow and migrate in protoplanetary disks. Because they accrete gas from their horseshoe region until the latter is depleted, we find that giant planets can open a gap before being lost into their central star by type I migration. A reduced type II migration is then enough and necessary to limit the total amount of migration that a giant planet suffers during its formation.

Gap length effect on electron energy distribution in capacitive radio frequency discharges

NASA Astrophysics Data System (ADS)

You, S. J.; Kim, S. S.; Kim, Jung-Hyung; Seong, Dae-Jin; Shin, Yong-Hyeon; Chang, H. Y.

2007-11-01

A study on the dependence of electron energy distribution function (EEDF) on discharge gap size in capacitive rf discharges was conducted. The evolution of the EEDF over a gap size range from 2.5to7cm in 65mTorr Ar discharges was investigated both experimentally and theoretically. The measured EEDFs exhibited typical bi-Maxwellian forms with low energy electron groups. A significant depletion in the low energy portion of the bi-Maxwellian was found with decreasing gap size. The results show that electron heating by bulk electric fields, which is the main heating process of the low-energy electrons, is greatly enhanced as the gap size decreases, resulting in the abrupt change of the EEDF. The calculated EEDFs based on nonlocal kinetic theory are in good agreement with the experiments.

Globally optimal, minimum stored energy, double-doughnut superconducting magnets.

PubMed

Tieng, Quang M; Vegh, Viktor; Brereton, Ian M

2010-01-01

The use of the minimum stored energy current density map-based methodology of designing closed-bore symmetric superconducting magnets was described recently. The technique is further developed to cater for the design of interventional-type MRI systems, and in particular open symmetric magnets of the double-doughnut configuration. This extends the work to multiple magnet domain configurations. The use of double-doughnut magnets in MRI scanners has previously been hindered by the ability to deliver strong magnetic fields over a sufficiently large volume appropriate for imaging, essentially limiting spatial resolution, signal-to-noise ratio, and field of view. The requirement of dedicated interventional space restricts the manner in which the coils can be arranged and placed. The minimum stored energy optimal coil arrangement ensures that the field strength is maximized over a specific region of imaging. The design method yields open, dual-domain magnets capable of delivering greater field strengths than those used prior to this work, and at the same time it provides an increase in the field-of-view volume. Simulation results are provided for 1-T double-doughnut magnets with at least a 50-cm 1-ppm (parts per million) field of view and 0.7-m gap between the two doughnuts. Copyright (c) 2009 Wiley-Liss, Inc.

Convergence behavior of the random phase approximation renormalized correlation energy

NASA Astrophysics Data System (ADS)

Bates, Jefferson E.; Sensenig, Jonathon; Ruzsinszky, Adrienn

2017-05-01

Based on the random phase approximation (RPA), RPA renormalization [J. E. Bates and F. Furche, J. Chem. Phys. 139, 171103 (2013), 10.1063/1.4827254] is a robust many-body perturbation theory that works for molecules and materials because it does not diverge as the Kohn-Sham gap approaches zero. Additionally, RPA renormalization enables the simultaneous calculation of RPA and beyond-RPA correlation energies since the total correlation energy is the sum of a series of independent contributions. The first-order approximation (RPAr1) yields the dominant beyond-RPA contribution to the correlation energy for a given exchange-correlation kernel, but systematically underestimates the total beyond-RPA correction. For both the homogeneous electron gas model and real systems, we demonstrate numerically that RPA renormalization beyond first order converges monotonically to the infinite-order beyond-RPA correlation energy for several model exchange-correlation kernels and that the rate of convergence is principally determined by the choice of the kernel and spin polarization of the ground state. The monotonic convergence is rationalized from an analysis of the RPA renormalized correlation energy corrections, assuming the exchange-correlation kernel and response functions satisfy some reasonable conditions. For spin-unpolarized atoms, molecules, and bulk solids, we find that RPA renormalization is typically converged to 1 meV error or less by fourth order regardless of the band gap or dimensionality. Most spin-polarized systems converge at a slightly slower rate, with errors on the order of 10 meV at fourth order and typically requiring up to sixth order to reach 1 meV error or less. Slowest to converge, however, open-shell atoms present the most challenging case and require many higher orders to converge.

From Fibrils to Toughness: Multi-Scale Mechanics of Fibrillating Interfaces in Stretchable Electronics

PubMed Central

van der Sluis, Olaf; Vossen, Bart; Geers, Marc

2018-01-01

Metal-elastomer interfacial systems, often encountered in stretchable electronics, demonstrate remarkably high interface fracture toughness values. Evidently, a large gap exists between the rather small adhesion energy levels at the microscopic scale (‘intrinsic adhesion’) and the large measured macroscopic work-of-separation. This energy gap is closed here by unravelling the underlying dissipative mechanisms through a systematic numerical/experimental multi-scale approach. This self-containing contribution collects and reviews previously published results and addresses the remaining open questions by providing new and independent results obtained from an alternative experimental set-up. In particular, the experimental studies on Cu-PDMS (Poly(dimethylsiloxane)) samples conclusively reveal the essential role of fibrillation mechanisms at the micro-meter scale during the metal-elastomer delamination process. The micro-scale numerical analyses on single and multiple fibrils show that the dynamic release of the stored elastic energy by multiple fibril fracture, including the interaction with the adjacent deforming bulk PDMS and its highly nonlinear behaviour, provide a mechanistic understanding of the high work-of-separation. An experimentally validated quantitative relation between the macroscopic work-of-separation and peel front height is established from the simulation results. Finally, it is shown that a micro-mechanically motivated shape of the traction-separation law in cohesive zone models is essential to describe the delamination process in fibrillating metal-elastomer systems in a physically meaningful way. PMID:29393908

40 CFR 63.964 - Inspection and monitoring requirements.

Code of Federal Regulations, 2011 CFR

2011-07-01

.... Defects include, but are not limited to, visible cracks, holes, or gaps in the closure devices; broken..., visible cracks, holes, or gaps in the closure devices; broken, cracked, or otherwise damaged seals or..., visible cracks, holes, gaps, or other open spaces in the sewer line joints, seals, or other emission...

40 CFR 63.964 - Inspection and monitoring requirements.

Code of Federal Regulations, 2010 CFR

2010-07-01

.... Defects include, but are not limited to, visible cracks, holes, or gaps in the closure devices; broken..., visible cracks, holes, or gaps in the closure devices; broken, cracked, or otherwise damaged seals or..., visible cracks, holes, gaps, or other open spaces in the sewer line joints, seals, or other emission...

30 CFR 585.642 - How do I submit my GAP?

Code of Federal Regulations, 2013 CFR

2013-07-01

... 30 Mineral Resources 2 2013-07-01 2013-07-01 false How do I submit my GAP? 585.642 Section 585.642 Mineral Resources BUREAU OF OCEAN ENERGY MANAGEMENT, DEPARTMENT OF THE INTERIOR OFFSHORE RENEWABLE ENERGY... any project easement as part of your original GAP submission or as a revision to your GAP. ...

30 CFR 585.642 - How do I submit my GAP?

Code of Federal Regulations, 2012 CFR

2012-07-01

... 30 Mineral Resources 2 2012-07-01 2012-07-01 false How do I submit my GAP? 585.642 Section 585.642 Mineral Resources BUREAU OF OCEAN ENERGY MANAGEMENT, DEPARTMENT OF THE INTERIOR OFFSHORE RENEWABLE ENERGY... any project easement as part of your original GAP submission or as a revision to your GAP. ...

30 CFR 585.642 - How do I submit my GAP?

Code of Federal Regulations, 2014 CFR

2014-07-01

... 30 Mineral Resources 2 2014-07-01 2014-07-01 false How do I submit my GAP? 585.642 Section 585.642 Mineral Resources BUREAU OF OCEAN ENERGY MANAGEMENT, DEPARTMENT OF THE INTERIOR OFFSHORE RENEWABLE ENERGY... any project easement as part of your original GAP submission or as a revision to your GAP. ...

Selective Area Band Engineering of Graphene using Cobalt-Mediated Oxidation.

PubMed

Bazylewski, Paul F; Nguyen, Van Luan; Bauer, Robert P C; Hunt, Adrian H; McDermott, Eamon J G; Leedahl, Brett D; Kukharenko, Andrey I; Cholakh, Seif O; Kurmaev, Ernst Z; Blaha, Peter; Moewes, Alexander; Lee, Young Hee; Chang, Gap Soo

2015-10-21

This study reports a scalable and economical method to open a band gap in single layer graphene by deposition of cobalt metal on its surface using physical vapor deposition in high vacuum. At low cobalt thickness, clusters form at impurity sites on the graphene without etching or damaging the graphene. When exposed to oxygen at room temperature, oxygen functional groups form in proportion to the cobalt thickness that modify the graphene band structure. Cobalt/Graphene resulting from this treatment can support a band gap of 0.30 eV, while remaining largely undamaged to preserve its structural and electrical properties. A mechanism of cobalt-mediated band opening is proposed as a two-step process starting with charge transfer from metal to graphene, followed by formation of oxides where cobalt has been deposited. Contributions from the formation of both CoO and oxygen functional groups on graphene affect the electronic structure to open a band gap. This study demonstrates that cobalt-mediated oxidation is a viable method to introduce a band gap into graphene at room temperature that could be applicable in electronics applications.

Selective Area Band Engineering of Graphene using Cobalt-Mediated Oxidation

PubMed Central

Bazylewski, Paul F.; Nguyen, Van Luan; Bauer, Robert P.C.; Hunt, Adrian H.; McDermott, Eamon J. G.; Leedahl, Brett D.; Kukharenko, Andrey I.; Cholakh, Seif O.; Kurmaev, Ernst Z.; Blaha, Peter; Moewes, Alexander; Lee, Young Hee; Chang, Gap Soo

2015-01-01

This study reports a scalable and economical method to open a band gap in single layer graphene by deposition of cobalt metal on its surface using physical vapor deposition in high vacuum. At low cobalt thickness, clusters form at impurity sites on the graphene without etching or damaging the graphene. When exposed to oxygen at room temperature, oxygen functional groups form in proportion to the cobalt thickness that modify the graphene band structure. Cobalt/Graphene resulting from this treatment can support a band gap of 0.30 eV, while remaining largely undamaged to preserve its structural and electrical properties. A mechanism of cobalt-mediated band opening is proposed as a two-step process starting with charge transfer from metal to graphene, followed by formation of oxides where cobalt has been deposited. Contributions from the formation of both CoO and oxygen functional groups on graphene affect the electronic structure to open a band gap. This study demonstrates that cobalt-mediated oxidation is a viable method to introduce a band gap into graphene at room temperature that could be applicable in electronics applications. PMID:26486966

High-torque open-end wrench

NASA Technical Reports Server (NTRS)

Giandomenico, A.; Dame, J. M.; Behimer, H. (Inventor)

1978-01-01

A wrench is described that is usable where limited access normally requires an open-end wrench, but which has substantially the high-torque capacity and small radial clearance characteristics of a closed-end wrench. The wrench includes a sleeve forming a nut-engageable socket with a gap in its side, and an adaptor forming a socket with a gap in its side, the adaptor closely surrounding the sleeve and extending across the gap in the sleeve. The sleeve and adaptor have surfaces that become fully engaged when a wrench handle is applied to the adaptor to turn it so as to tighten a nut engaged by the sleeve.

Hybrid photonic-plasmonic crystal nanocavity sensors

NASA Astrophysics Data System (ADS)

Cheng, Pi-Ju; Chiang, Chih-Kai; Chou, Bo-Tsun; Huang, Zhen-Ting; Ku, Yun-Cheng; Kuo, Mao-Kuen; Hsu, Jin-Chen; Lin, Tzy-Rong

2018-02-01

We have investigated a hybrid photonic-plasmonic crystal nanocavity consisting of a silicon grating nanowire adjacent to a metal surface with a gain gap between them. The hybrid plasmonic cavity modes are highly confined in the gap due to the strong coupling of the photonic crystal cavity modes and the surface plasmonic gap modes. Using finite-element method (FEM), guided modes of the hybrid plasmonic waveguide (WG) were numerically determined at a wavelength of 1550 nm. The modal characteristics such as WG confinement factors and modal losses of the fundamental hybrid plasmonic modes were obtained as a function of groove depth at various gap heights. Furthermore, the band structure of the hybrid crystal modes corresponding to a wide band gap of 17.8 THz is revealed. To enclose the optical energy effectively, a single defect was introduced into the hybrid crystal. At a deep subwavelength defect length as small as 270 nm, the resonant mode exhibits a high quality factor of 567 and an ultrasmall mode volume of 1.9 × 10- 3 ( λ/ n eff)3 at the resonance wavelength of 1550 nm. Compared to conventional photonic crystal nanowire cavities in the absence of a metal surface, the factor Q/ V m is significantly enhanced by about 15 times. The designed hybrid photonic-plasmonic cavity sensors exhibit distinguished characteristics such as sensitivity of 443 nm/RIU and figure of merit of 129. The proposed nanocavities open new possibilities for various applications with strong light-matter interaction, such as biosensors and nanolasers.

Abundance of green tree frogs and insects in artificial canopy gaps in a bottomland hardwood forest

Treesearch

Scott Horn; James L. Hanula; Michael D. Ulyshen; John C. Kilgo

2005-01-01

We found more green tree frogs (Hyla cinera) in canopy gaps than in closed canopy forest. Of the 331 gree ntree frogs observed, 88% were in canopy gaps. Likewise, higher numbers and biomasses of insects were captured in the open gap habitat. Flies were the most commonly collected insect group accounting for 54% of the total capture. These data...

Seasonal bird use of canopy gaps in a bottomland forest

Treesearch

Liessa T. Bowen; Christopher E. Moorman; John C. Kilgo

2007-01-01

Bird use of small canopy gaps within mature forests has not been well studied, particularly across multiple seasons. We investigated seasonal differences in bird use of gap and forest habitat within a bottomland hardwood forest in the Upper Coastal Plain of South Carolina. Gaps were 0.13- to 0.5-ha, 7- to 8- year-old group-selection timber harvest openings. Our study...

Dynamic modeling of hybrid renewable energy systems for off-grid applications

NASA Astrophysics Data System (ADS)

Hasemeyer, Mark David

The volatile prices of fossil fuels and their contribution to global warming have caused many people to turn to renewable energy systems. Many developing communities are forced to use these systems as they are too far from electrical distribution. As a result, numerous software models have been developed to simulate hybrid renewable energy systems. However almost, if not all, implementations are static in design. A static design limits the ability of the model to account for changes over time. Dynamic modeling can be used to fill the gaps where other modeling techniques fall short. This modeling practice allows the user to account for the effects of technological and economic factors over time. These factors can include changes in energy demand, energy production, and income level. Dynamic modeling can be particularly useful for developing communities who are off-grid and developing at rapid rates. In this study, a dynamic model was used to evaluate a real world system. A non-governmental organization interested in improving their current infrastructure was selected. Five different scenarios were analyzed and compared in order to discover which factors the model is most sensitive to. In four of the scenarios, a new energy system was purchased in order to account for the opening of a restaurant that would be used as a source of local income generation. These scenarios were then compared to a base case in which a new system was not purchased, and the restaurant was not opened. Finally, the results were used to determine which variables had the greatest impact on the various outputs of the simulation.

Closing the energy gap through passive energy expenditure

USDA-ARS?s Scientific Manuscript database

Development of obesity is a gradual process occurring when daily energy intake persistently exceeds energy expenditure (EE). Typical daily weight gain is attributed to an energy gap or excess of stored energy of 15 to 50 kcal/day. Sedentary jobs likely promote weight gain. Standing may be a passive ...

Permanent-magnet-less machine having an enclosed air gap

DOEpatents

Hsu, John S [Oak Ridge, TN

2012-02-07

A permanent magnet-less, brushless synchronous system includes a stator that generates a magnetic rotating field when sourced by an alternating current. An uncluttered rotor disposed within the magnetic rotating field is spaced apart from the stator to form an air gap relative to an axis of rotation. A stationary excitation core spaced apart from the uncluttered rotor by an axial air gap and a radial air gap substantially encloses the stationary excitation core. Some permanent magnet-less, brushless synchronous systems include stator core gaps to reduce axial flux flow. Some permanent magnet-less, brushless synchronous systems include an uncluttered rotor coupled to outer laminations. The quadrature-axis inductance may be increased in some synchronous systems. Some synchronous systems convert energy such as mechanical energy into electrical energy (e.g., a generator); other synchronous systems may convert any form of energy into mechanical energy (e.g., a motor).

Permanent-magnet-less machine having an enclosed air gap

DOEpatents

Hsu, John S.

2013-03-05

A permanent magnet-less, brushless synchronous system includes a stator that generates a magnetic rotating field when sourced by an alternating current. An uncluttered rotor disposed within the magnetic rotating field is spaced apart from the stator to form an air gap relative to an axis of rotation. A stationary excitation core spaced apart from the uncluttered rotor by an axial air gap and a radial air gap substantially encloses the stationary excitation core. Some permanent magnet-less, brushless synchronous systems include stator core gaps to reduce axial flux flow. Some permanent magnet-less, brushless synchronous systems include an uncluttered rotor coupled to outer laminations. The quadrature-axis inductance may be increased in some synchronous systems. Some synchronous systems convert energy such as mechanical energy into electrical energy (e.g., a generator); other synchronous systems may convert any form of energy into mechanical energy (e.g., a motor).

Open and Shut: The Case for Optimizing Air Component Resilient Basing Strategies in an Anti-Access/Area Denial Operating Environment

DTIC Science & Technology

2018-04-09

The research focuses on gaps in current doctrine, command relationships, command and control, force structure of ABO forces, posture, training for...identifying conceptual challenges and methodologies to address them as well as describing areas for further research . 15. SUBJECT TERMS Airbase Opening...Denial environment. The research focuses on gaps in current doctrine, command relationships, command and control, force structure of ABO forces

Exploring the charge localization and band gap opening of borophene: a first-principles study.

PubMed

Kistanov, Andrey A; Cai, Yongqing; Zhou, Kun; Srikanth, Narasimalu; Dmitriev, Sergey V; Zhang, Yong-Wei

2018-01-18

Recently synthesized two-dimensional (2D) boron, borophene, exhibits a novel metallic behavior rooted in the s-p orbital hybridization, distinctively different from other 2D materials such as sulfides/selenides and semi-metallic graphene. This unique feature of borophene implies new routes for charge delocalization and band gap opening. Herein, using first-principles calculations, we explore the routes to localize the carriers and open the band gap of borophene via chemical functionalization, ribbon construction, and defect engineering. The metallicity of borophene is found to be remarkably robust against H- and F-functionalization and the presence of vacancies. Interestingly, a strong odd-even oscillation of the electronic structure with width is revealed for H-functionalized borophene nanoribbons, while an ultra-high work function (∼7.83 eV) is found for the F-functionalized borophene due to its strong charge transfer to the atomic adsorbates.

Free energy barriers to evaporation of water in hydrophobic confinement.

PubMed

Sharma, Sumit; Debenedetti, Pablo G

2012-11-08

We use umbrella sampling Monte Carlo and forward and reverse forward flux sampling (FFS) simulation techniques to compute the free energy barriers to evaporation of water confined between two hydrophobic surfaces separated by nanoscopic gaps, as a function of the gap width, at 1 bar and 298 K. The evaporation mechanism for small (1 × 1 nm(2)) surfaces is found to be fundamentally different from that for large (3 × 3 nm(2)) surfaces. In the latter case, the evaporation proceeds via the formation of a gap-spanning tubular cavity. The 1 × 1 nm(2) surfaces, in contrast, are too small to accommodate a stable vapor cavity. Accordingly, the associated free energy barriers correspond to the formation of a critical-sized cavity for sufficiently large confining surfaces, and to complete emptying of the gap region for small confining surfaces. The free energy barriers to evaporation were found to be of O(20kT) for 14 Å gaps, and to increase by approximately ~5kT with every 1 Å increase in the gap width. The entropy contribution to the free energy of evaporation was found to be independent of the gap width.

The shifting nature of vegetation controls on peak snowpack with varying slope and aspect

NASA Astrophysics Data System (ADS)

Biederman, J. A.; Harpold, A. A.; Broxton, P. D.; Brooks, P. D.

2012-12-01

The controls on peak seasonal snowpack are known to shift between forested and open environments as well as with slope and aspect. Peak snowpack is predicted well by interception models under uniformly dense canopy, while topography, wind and radiation are strong predictors in open areas. However, many basins have complex mosaics of forest canopy and small gaps, where snowpack controls involve complex interactions among climate, topography and forest structure. In this presentation we use a new fully distributed tree-scale model to investigate vegetation controls on snowpack for a range of slope and aspect, and we evaluate the energy balance in forest canopy and gap environments. The model is informed by airborne LiDAR and ground-based observations of climate, vegetation and snowpack. It represents interception, snow distribution by wind, latent and sensible heat fluxes, and radiative fluxes above and below the canopy at a grid scale of 1 m square on an hourly time step. First, the model is minimally calibrated using continuous records of snow depth and snow water equivalent (SWE). Next, the model is evaluated using distributed observations at peak accumulation. Finally, the domain is synthetically altered to introduce ranges of slope and aspect. Northerly aspects accumulate greater peak SWE than southerly aspects (e.g. 275 mm vs. 250 mm at a slope of 28 %) but show lower spatial variability (e. g. CV = 0.14 vs. CV = 0.17 at slope of 28 %). On northerly aspects, most of the snowpack remains shaded by vegetation, whereas on southerly aspects the northern portions of gaps and southern forest edges receive direct insolation during late winter. This difference in net radiation makes peak SWE in forest gaps and adjacent forest edges more sensitive to topography than SWE in areas under dense canopy. Tree-scale modeling of snow dynamics over synthetic terrain offers extensive possibilities to test interactions among vegetation and topographic controls.

Spin filter for arbitrary spins by substrate engineering

NASA Astrophysics Data System (ADS)

Pal, Biplab; Römer, Rudolf A.; Chakrabarti, Arunava

2016-08-01

We design spin filters for particles with potentially arbitrary spin S≤ft(=1/2,1,3/2,\\ldots \\right) using a one-dimensional periodic chain of magnetic atoms as a quantum device. Describing the system within a tight-binding formalism we present an analytical method to unravel the analogy between a one-dimensional magnetic chain and a multi-strand ladder network. This analogy is crucial, and is subsequently exploited to engineer gaps in the energy spectrum by an appropriate choice of the magnetic substrate. We obtain an exact correlation between the magnitude of the spin of the incoming beam of particles and the magnetic moment of the substrate atoms in the chain desired for opening up of a spectral gap. Results of spin polarized transport, calculated within a transfer matrix formalism, are presented for particles having half-integer as well as higher spin states. We find that the chain can be made to act as a quantum device which opens a transmission window only for selected spin components over certain ranges of the Fermi energy, blocking them in the remaining part of the spectrum. The results appear to be robust even when the choice of the substrate atoms deviates substantially from the ideal situation, as verified by extending the ideas to the case of a ‘spin spiral’. Interestingly, the spin spiral geometry, apart from exhibiting the filtering effect, is also seen to act as a device flipping spins—an effect that can be monitored by an interplay of the system size and the period of the spiral. Our scheme is applicable to ultracold quantum gases, and might inspire future experiments in this direction.

A Case Study of Scholars' Open and Sharing Practices

ERIC Educational Resources Information Center

Veletsianos, George

2015-01-01

Although the open scholarship movement has successfully captured the attention and interest of higher education stakeholders, researchers currently lack an understanding of the degree to which open scholarship is enacted in institutions that lack institutional support for openness. I help fill this gap in the literature by presenting a descriptive…

Controllably Inducing and Modeling Optical Response from Graphene Oxide

NASA Astrophysics Data System (ADS)

Lombardo, Nicholas; Naumov, Anton

Graphene, a novel 2-dimensional sp2-hybridized allotrope of Carbon, has unique electrical and mechanical properties. While it is naturally a highly conductive zero band gap semiconductor, graphene does not exhibit optical emission. It has been shown that functionalization with oxygen-containing groups elicits an opening of band gap in graphene. In this work, we aim to induce an optical response in graphene via controlled oxidation, and then explore potential origins of its photoluminescence through mathematical modeling. We employ timed ozone treatment of initially non-fluorescent reduced graphene oxide (RGO) to produce graphene oxide (GO) with specific optical properties. Oxidized material exhibits substantial changes in the absorption spectra and a broad photoluminescence feature, centered at 532 nm, which suggests the appearance of a band gap. We then explore a number of possible mechanisms for the origin of GO photoluminescence via PM3 and ab initio calculations on a functionalized single sheet of graphene. By adjusting modeling parameters to fit experimentally obtained optical transition energies we estimate the size of the sp2 graphitic regions in GO and the arrangement of functional groups that could be responsible for the observed emission.

Lateral distortions of electromagnetic cascades in emulsion chambers

NASA Technical Reports Server (NTRS)

Porter, L. G.; Levit, L. B.; Jones, W. V.; Huggett, R. W.; Barrowes, S. C.

1975-01-01

Electromagnetic cascades in a lead-emulsion chamber have been studied to determine the effect of air gaps on the upstream sides of the emulsions. Such air gaps cause a change in the form of the radial distribution of electron tracks, making cascades appear older and giving incorrect energy estimates. The number of tracks remaining within a radius r was found to vary as exp(-g/G), where g is the gap thickness. The characteristic gap thickness in mm is G = 3.04 + 1.30 ln (Err per GeV per sq mm) where E is the energy of the initiating gamma ray. Use of this relation provides a significant correction to cascade-energy estimates and allows one to calculate the effect of different gap thicknesses on the energy threshold for visual detection of cascades.

Deep absorbing porphyrin small molecule for high-performance organic solar cells with very low energy losses.

PubMed

Gao, Ke; Li, Lisheng; Lai, Tianqi; Xiao, Liangang; Huang, Yuan; Huang, Fei; Peng, Junbiao; Cao, Yong; Liu, Feng; Russell, Thomas P; Janssen, René A J; Peng, Xiaobin

2015-06-17

We designed and synthesized the DPPEZnP-TEH molecule, with a porphyrin ring linked to two diketopyrrolopyrrole units by ethynylene bridges. The resulting material exhibits a very low energy band gap of 1.37 eV and a broad light absorption to 907 nm. An open-circuit voltage of 0.78 V was obtained in bulk heterojunction (BHJ) organic solar cells, showing a low energy loss of only 0.59 eV, which is the first report that small molecule solar cells show energy losses <0.6 eV. The optimized solar cells show remarkable external quantum efficiency, short circuit current, and power conversion efficiency up to 65%, 16.76 mA/cm(2), and 8.08%, respectively, which are the best values for BHJ solar cells with very low energy losses. Additionally, the morphology of DPPEZnP-TEH neat and blend films with PC61BM was studied thoroughly by grazing incidence X-ray diffraction, resonant soft X-ray scattering, and transmission electron microscopy under different fabrication conditions.

Inter-band optoelectronic properties in quantum dot structure of low band gap III-V semiconductors

NASA Astrophysics Data System (ADS)

Dey, Anup; Maiti, Biswajit; Chanda Sarkar, Debasree

2014-04-01

A generalized theory is developed to study inter-band optical absorption coefficient (IOAC) and material gain (MG) in quantum dot structures of narrow gap III-V compound semiconductor considering the wave-vector (k→) dependence of the optical transition matrix element. The band structures of these low band gap semiconducting materials with sufficiently separated split-off valance band are frequently described by the three energy band model of Kane. This has been adopted for analysis of the IOAC and MG taking InAs, InSb, Hg1-xCdxTe, and In1-xGaxAsyP1-y lattice matched to InP, as example of III-V compound semiconductors, having varied split-off energy band compared to their bulk band gap energy. It has been found that magnitude of the IOAC for quantum dots increases with increasing incident photon energy and the lines of absorption are more closely spaced in the three band model of Kane than those with parabolic energy band approximations reflecting the direct the influence of energy band parameters. The results show a significant deviation to the MG spectrum of narrow-gap materials having band nonparabolicity compared to the parabolic band model approximations. The results reflect the important role of valence band split-off energies in these narrow gap semiconductors.

OpenBiodiv-O: ontology of the OpenBiodiv knowledge management system.

PubMed

Senderov, Viktor; Simov, Kiril; Franz, Nico; Stoev, Pavel; Catapano, Terry; Agosti, Donat; Sautter, Guido; Morris, Robert A; Penev, Lyubomir

2018-01-18

The biodiversity domain, and in particular biological taxonomy, is moving in the direction of semantization of its research outputs. The present work introduces OpenBiodiv-O, the ontology that serves as the basis of the OpenBiodiv Knowledge Management System. Our intent is to provide an ontology that fills the gaps between ontologies for biodiversity resources, such as DarwinCore-based ontologies, and semantic publishing ontologies, such as the SPAR Ontologies. We bridge this gap by providing an ontology focusing on biological taxonomy. OpenBiodiv-O introduces classes, properties, and axioms in the domains of scholarly biodiversity publishing and biological taxonomy and aligns them with several important domain ontologies (FaBiO, DoCO, DwC, Darwin-SW, NOMEN, ENVO). By doing so, it bridges the ontological gap across scholarly biodiversity publishing and biological taxonomy and allows for the creation of a Linked Open Dataset (LOD) of biodiversity information (a biodiversity knowledge graph) and enables the creation of the OpenBiodiv Knowledge Management System. A key feature of the ontology is that it is an ontology of the scientific process of biological taxonomy and not of any particular state of knowledge. This feature allows it to express a multiplicity of scientific opinions. The resulting OpenBiodiv knowledge system may gain a high level of trust in the scientific community as it does not force a scientific opinion on its users (e.g. practicing taxonomists, library researchers, etc.), but rather provides the tools for experts to encode different views as science progresses. OpenBiodiv-O provides a conceptual model of the structure of a biodiversity publication and the development of related taxonomic concepts. It also serves as the basis for the OpenBiodiv Knowledge Management System.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gay, B.; Portman, C.

Oil reserves two miles beneath the coastal plain of the Arctic National Wildlife Refuge (ANWR) in northern Alaska could stimulate the economy, reduce US petroleum imports, create jobs, and improve the US trade balance, insist Becky Gay and Carl Portman of the non-profit Resource Development Council for Alaska, Inc. Efforts to tap these oil reserves would be confined to the coastal plain. The rest of the refuge would remain unaffected. US Department of the Interior geologists estimate that the coastal plain could produce as much as 1 million barrels of crude oil per day for at least 25 years. Thatmore » level of production would represent 12 percent of current domestic production. [open quotes]It also could increase the gross national product more than $50 billion by 2005 and save the United States more than $14 billion annually in imports,[close quotes] Gay and Portman write. And, they say, these rewards would come at only a modest price in terms of loss of wilderness. [open quotes]While it is impossible to develop without environmental impact, environmental protection and oil development in the arctic are not mutually exclusive,[close quotes] the authors contend. They claim that advances in drilling, construction, and operating practices have reduced the environmental impact associated with oil development in Alaska. Those opposed to oil exploration in ANWR contend that energy conservation measures such as higher gasoline mileage for automobiles may offset the need for additional Alaskan oil. The authors insist, however, that even [open quotes]the most sincere efforts by consumers to conserve would still leave a sizable gap between the energy America produces and the energy it consumes.[close quotes]« less

Comparison of energy flows in deep inelastic scattering events with and without a large rapidity gap

NASA Astrophysics Data System (ADS)

Derrick, M.; Krakauer, D.; Magill, S.; Musgrave, B.; Repond, J.; Schlereth, J.; Stanek, R.; Talaga, R. L.; Thron, J.; Arzarello, F.; Ayad, R.; Bari, G.; Basile, M.; Bellagamba, L.; Boscherini, D.; Bruni, A.; Bruni, G.; Bruni, P.; Romeo, G. Cara; Castellini, G.; Chiarini, M.; Cifarelli, L.; Cindolo, F.; Ciralli, F.; Contin, A.; D'Auria, S.; Del Papa, C.; Frasconi, F.; Giusti, P.; Iacobucci, G.; Laurenti, G.; Levi, G.; Maccarrone, G.; Margotti, A.; Massam, T.; Nania, R.; Nemoz, C.; Palmonari, F.; Polini, A.; Sartorelli, G.; Timellini, R.; Garcia, Y. Zamora; Zichichi, A.; Bargende, A.; Crittenden, J.; Desch, K.; Diekmann, B.; Doeker, T.; Feld, L.; Frey, A.; Geerts, M.; Geitz, G.; Grothe, M.; Hartmann, H.; Haun, D.; Heinloth, K.; Hilger, E.; Jakob, H.-P.; Katz, U. F.; Mari, S. M.; Mass, A.; Mengel, S.; Mollen, J.; Paul, E.; Rembser, Ch.; Schattevoy, R.; Schneider, J.-L.; Schramm, D.; Stamm, J.; Wedemeyer, R.; Campbell-Robson, S.; Cassidy, A.; Dyce, N.; Foster, B.; George, S.; Gilmore, R.; Heath, G. P.; Heath, H. F.; Llewellyn, T. J.; Morgado, C. J. S.; Norman, D. J. P.; O'Mara, J. A.; Tapper, R. J.; Wilson, S. S.; Yoshida, R.; Rau, R. R.; Arneodo, M.; Iannotti, L.; Schioppa, M.; Susinno, G.; Bernstein, A.; Caldwell, A.; Gialas, I.; Parsons, J. A.; Ritz, S.; Sciulli, F.; Straub, P. B.; Wai, L.; Yang, S.; Borzemski, P.; Chwastowski, J.; Eskreys, A.; Piotrzkowski, K.; Zachara, M.; Zawiejski, L.; Adamczyk, L.; Bednarek, B.; Eskreys, K.; Jeleń, K.; Kisielewska, D.; Kowalski, T.; Rulikowska-Zarȩbska, E.; Suszycki, L.; Zajaç, J.; Kȩdzierski, T.; Kotański, A.; Przybycień, M.; Bauerdick, L. A. T.; Behrens, U.; Bienlein, J. K.; Böttcher, S.; Coldewey, C.; Drews, G.; Flasiński, M.; Gilkinson, D. J.; Göttlicher, P.; Gutjahr, B.; Haas, T.; Hagge, L.; Hain, W.; Hasell, D.; Heßling, H.; Hultschig, H.; Iga, Y.; Joos, P.; Kasemann, M.; Klanner, R.; Koch, W.; Köpke, L.; Kötz, U.; Kowalski, H.; Kröger, W.; Krüger, J.; Labs, J.; Ladage, A.; Löhr, B.; Löwe, M.; Lüke, D.; Mainusch, J.; Mańczak, O.; Ng, J. S. T.; Nickel, S.; Notz, D.; Ohrenberg, K.; Roco, M.; Rohde, M.; Roldán, J.; Schneekloth, U.; Schroeder, J.; Schulz, W.; Selonke, F.; Stiliaris, E.; Voß, T.; Westphal, D.; Wolf, G.; Youngman, C.; Grabosch, H. J.; Leich, A.; Meyer, A.; Rethfeldt, C.; Schlenstedt, S.; Barbagli, G.; Pelfer, P.; Anzivino, G.; De Pasquale, S.; Qian, S.; Votano, L.; Bamberger, A.; Freidhof, A.; Poser, T.; Söldner-Rembold, S.; Theisen, G.; Trefzger, T.; Brook, N. H.; Bussey, P. J.; Doyle, A. T.; Fleck, I.; Forbes, J. R.; Jamieson, V. A.; Raine, C.; Saxon, D. H.; Stavrianakou, M.; Wilson, A. S.; Dannemann, A.; Holm, U.; Horstmann, D.; Kammerlocher, H.; Krebs, B.; Neumann, T.; Sinkus, R.; Wick, K.; Badura, E.; Burow, B. D.; Fürtjes, A.; Lohrmann, E.; Milewski, J.; Nakahata, M.; Pavel, N.; Poelz, G.; Schott, W.; Terron, J.; Zetsche, F.; Bacon, T. C.; Beuselinck, R.; Butterworth, I.; Gallo, E.; Harris, V. L.; Hung, B. H.; Long, K. R.; Miller, D. B.; Morawitz, P. P. O.; Prinias, A.; Sedgbeer, J. K.; Whitfield, A. F.; Mallik, U.; McCliment, E.; Wang, M. Z.; Zhang, Y.; Cloth, P.; Filges, D.; An, S. H.; Hong, S. M.; Kim, C. O.; Kim, T. Y.; Nam, S. W.; Park, S. K.; Suh, M. H.; Yon, S. H.; Imlay, R.; Kartik, S.; Kim, H.-J.; McNeil, R. R.; Metcalf, W.; Nadendla, V. K.; Barreiro, F.; Cases, G.; Graciani, R.; Hernández, J. M.; Hervás, L.; Labarga, L.; del Peso, J.; Puga, J.; de Trocóniz, J. F.; Ikraiam, F.; Mayer, J. K.; Smith, G. R.; Corriveau, F.; Hanna, D. S.; Hartmann, J.; Hung, L. W.; Lim, J. N.; Matthews, C. G.; Mitchell, J. W.; Patel, P. M.; Sinclair, L. E.; Stairs, D. G.; Laurent, M. St.; Ullmann, R.; Bashkirov, V.; Dolgoshein, B. A.; Stifutkin, A.; Bashindzhagyan, G. L.; Ermolov, P. F.; Gladilin, L. K.; Golubkov, Y. A.; Kobrin, V. D.; Kuzmin, V. A.; Proskuryakov, A. S.; Savin, A. A.; Shcheglova, L. M.; Solomin, A. N.; Zotov, N. P.; Bentvelsen, S.; Botje, M.; Chlebana, F.; Dake, A.; Engelen, J.; de Jong, P.; de Kamps, M.; Kooijman, P.; Kruse, A.; O'Dell, V.; Tenner, A.; Tiecke, H.; Verkerke, W.; Vreeswijk, M.; Wiggers, L.; de Wolf, E.; van Woudenberg, R.; Acosta, D.; Bylsma, B.; Durkin, L. S.; Honscheid, K.; Li, C.; Ling, T. Y.; McLean, K. W.; Murray, W. N.; Park, I. H.; Romanowski, T. A.; Seidlein, R.; Bailey, D. S.; Blair, G. A.; Byrne, A.; Cashmore, R. J.; Cooper-Sarkar, A. M.; Daniels, D.; Devenish, R. C. E.; Harnew, N.; Lancaster, M.; Luffman, P. E.; McFall, J.; Nath, C.; Quadt, A.; Uijterwaal, H.; Walczak, R.; Wilson, F. F.; Yip, T.; Abbiendi, G.; Bertolin, A.; Brugnera, R.; Carlin, R.; Dal Corso, F.; De Giorgi, M.; Dosselli, U.; Gasparini, F.; Limentani, S.; Morandin, M.; Posocco, M.; Stanco, L.; Stroili, R.; Voci, C.; Bulmahn, J.; Butterworth, J. M.; Feild, R. G.; Oh, B. Y.; Whitmore, J. J.; D'Agostini, G.; Iori, M.; Marini, G.; Mattioli, M.; Nigro, A.; Hart, J. C.; McCubbin, N. A.; Prytz, K.; Shah, T. P.; Short, T. L.; Barberis, E.; Cartiglia, N.; Dubbs, T.; Heusch, C.; Van Hook, M.; Hubbard, B.; Lockman, W.; Sadrozinski, H. F.-W.; Seiden, A.; Biltzinger, J.; Seifert, R. J.; Walenta, A. H.; Zech, G.; Abramowicz, H.; Dagan, S.; Levy, A.; Hasegawa, T.; Hazumi, M.; Ishii, T.; Kuze, M.; Mine, S.; Nagasawa, Y.; Nagira, T.; Nakao, M.; Suzuki, I.; Tokushuku, K.; Yamada, S.; Yamazaki, Y.; Chiba, M.; Hamatsu, R.; Hirose, T.; Homma, K.; Kitamura, S.; Nagayama, S.; Nakamitsu, Y.; Cirio, R.; Costa, M.; Ferrero, M. I.; Lamberti, L.; Maselli, S.; Peroni, C.; Sacchi, R.; Solano, A.; Staiano, A.; Dardo, M.; Bailey, D. C.; Bandyopadhyay, D.; Benard, F.; Brkic, M.; Crombie, M. B.; Gingrich, D. M.; Hartner, G. F.; Joo, K. K.; Levman, G. M.; Martin, J. F.; Orr, R. S.; Sampson, C. R.; Teuscher, R. J.; Catterall, C. D.; Jones, T. W.; Kaziewicz, P. B.; Lane, J. B.; Saunders, R. S.; Shulman, J.; Blankenship, K.; Kochocki, J.; Lu, B.; Mo, L. W.; Bogusz, W.; Charchuła, K.; Ciborowski, J.; Gajewski, J.; Grzelak, G.; Kasprzak, M.; Krzyżanowski, M.; Muchorowski, K.; Nowak, R. J.; Pawlak, J. M.; Tymieniecka, T.; Wróblewski, A. K.; Zakrzewski, J. A.; Żarnecki, A. F.; Adamus, M.; Eisenberg, Y.; Glasman, C.; Karshon, U.; Revel, D.; Shapira, A.; Ali, I.; Behrens, B.; Dasu, S.; Fordham, C.; Foudas, C.; Goussiou, A.; Loveless, R. J.; Reeder, D. D.; Silverstein, S.; Smith, W. H.; Tsurugai, T.; Bhadra, S.; Frisken, W. R.; Furutani, K. M.; ZEUS Collaboration

1994-11-01

Energy flows in deep inelastic electron-proton scattering are investigated at a centre-of-mass energy of 269 GeV for the range Q2 ≥ 10 GeV 2 using the ZEUS detector. A comparison is made between events with and without a large rapidity gap between the hadronic system and the proton direction. The energy flows, corrected for detector acceptance and resolution, are shown for these two classes of events in both the HERA laboratory frame and the Breit frame. From the differences in the shapes of these energy flows we conclude that QCD radiation is suppressed in the large-rapidity-gap eents compared to the events without a large rapidity gap.

Closing gaps between open software and public data in a hackathon setting: User-centered software prototyping.

PubMed

Busby, Ben; Lesko, Matthew; Federer, Lisa

2016-01-01

In genomics, bioinformatics and other areas of data science, gaps exist between extant public datasets and the open-source software tools built by the community to analyze similar data types.  The purpose of biological data science hackathons is to assemble groups of genomics or bioinformatics professionals and software developers to rapidly prototype software to address these gaps.  The only two rules for the NCBI-assisted hackathons run so far are that 1) data either must be housed in public data repositories or be deposited to such repositories shortly after the hackathon's conclusion, and 2) all software comprising the final pipeline must be open-source or open-use.  Proposed topics, as well as suggested tools and approaches, are distributed to participants at the beginning of each hackathon and refined during the event.  Software, scripts, and pipelines are developed and published on GitHub, a web service providing publicly available, free-usage tiers for collaborative software development. The code resulting from each hackathon is published at https://github.com/NCBI-Hackathons/ with separate directories or repositories for each team.

Spectroscopic and photochemical properties of open-chain carotenoids.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Frank, H. A.; Josue, J. S.; Bautista, J. A.

2002-02-28

The spectroscopic properties of open-chain, all-trans-C{sub 30} carotenoids having seven, eight and nine {pi}-electron conjugated carbon-carbon double bonds were studied using steady-state absorption, fluorescence, fluorescence excitation and time-resolved absorption spectroscopy. These diapocarotenes were purified by high performance liquid chromatography (HPLC) prior to the spectroscopic experiments. The fluorescence data show a systematic crossover from dominant S{sub 1} {yields} S{sub 0} (2{sup 1}Ag{yields} 1{sup 1}Ag) emission to dominant S{sub 2} {yields} S{sub 0} (1{sup 1}Bu {yields} 1{sup 1}Ag) with increasing extent of conjugation. The low temperatures facilitated the determination of the spectral origins of the S{sub 1} {yields} S{sub 0} (2{sup 1}Agmore » {yields} 1{sup 1}Ag) emissions, which were assigned by Gaussian deconvolution of the experimental line shapes. The lifetimes of the S{sub 1} states of the molecules were measured by transient absorption spectroscopy and were found to decrease as the conjugated chain length increases. The energy gap law for radiationless transitions is used to correlate the S{sub 1} energies with the dynamics. These molecules provide a systematic series for understanding the structural features that control the photochemical properties of open-chain, diapocarotenoids. The implications of these results on the roles of carotenoids in photosynthetic organisms are discussed.« less

The NREL Spectrum of Clean Energy Innovation - Continuum Magazine | NREL

Science.gov Websites

Laboratory to Marketplace Disruptive innovation is making solar cost competitive with non-renewable energy , Kansas has new energy and a new outlook. Energy Innovation Portal Bridging Information Gap Energy Innovation Portal Bridging Information Gap Database revolutionizes intellectual property transfer from DOE's

Lateral Information Processing by Spiking Neurons: A Theoretical Model of the Neural Correlate of Consciousness

PubMed Central

Ebner, Marc; Hameroff, Stuart

2011-01-01

Cognitive brain functions, for example, sensory perception, motor control and learning, are understood as computation by axonal-dendritic chemical synapses in networks of integrate-and-fire neurons. Cognitive brain functions may occur either consciously or nonconsciously (on “autopilot”). Conscious cognition is marked by gamma synchrony EEG, mediated largely by dendritic-dendritic gap junctions, sideways connections in input/integration layers. Gap-junction-connected neurons define a sub-network within a larger neural network. A theoretical model (the “conscious pilot”) suggests that as gap junctions open and close, a gamma-synchronized subnetwork, or zone moves through the brain as an executive agent, converting nonconscious “auto-pilot” cognition to consciousness, and enhancing computation by coherent processing and collective integration. In this study we implemented sideways “gap junctions” in a single-layer artificial neural network to perform figure/ground separation. The set of neurons connected through gap junctions form a reconfigurable resistive grid or sub-network zone. In the model, outgoing spikes are temporally integrated and spatially averaged using the fixed resistive grid set up by neurons of similar function which are connected through gap-junctions. This spatial average, essentially a feedback signal from the neuron's output, determines whether particular gap junctions between neurons will open or close. Neurons connected through open gap junctions synchronize their output spikes. We have tested our gap-junction-defined sub-network in a one-layer neural network on artificial retinal inputs using real-world images. Our system is able to perform figure/ground separation where the laterally connected sub-network of neurons represents a perceived object. Even though we only show results for visual stimuli, our approach should generalize to other modalities. The system demonstrates a moving sub-network zone of synchrony, within which the contents of perception are represented and contained. This mobile zone can be viewed as a model of the neural correlate of consciousness in the brain. PMID:22046178

Lateral information processing by spiking neurons: a theoretical model of the neural correlate of consciousness.

PubMed

Ebner, Marc; Hameroff, Stuart

2011-01-01

Cognitive brain functions, for example, sensory perception, motor control and learning, are understood as computation by axonal-dendritic chemical synapses in networks of integrate-and-fire neurons. Cognitive brain functions may occur either consciously or nonconsciously (on "autopilot"). Conscious cognition is marked by gamma synchrony EEG, mediated largely by dendritic-dendritic gap junctions, sideways connections in input/integration layers. Gap-junction-connected neurons define a sub-network within a larger neural network. A theoretical model (the "conscious pilot") suggests that as gap junctions open and close, a gamma-synchronized subnetwork, or zone moves through the brain as an executive agent, converting nonconscious "auto-pilot" cognition to consciousness, and enhancing computation by coherent processing and collective integration. In this study we implemented sideways "gap junctions" in a single-layer artificial neural network to perform figure/ground separation. The set of neurons connected through gap junctions form a reconfigurable resistive grid or sub-network zone. In the model, outgoing spikes are temporally integrated and spatially averaged using the fixed resistive grid set up by neurons of similar function which are connected through gap-junctions. This spatial average, essentially a feedback signal from the neuron's output, determines whether particular gap junctions between neurons will open or close. Neurons connected through open gap junctions synchronize their output spikes. We have tested our gap-junction-defined sub-network in a one-layer neural network on artificial retinal inputs using real-world images. Our system is able to perform figure/ground separation where the laterally connected sub-network of neurons represents a perceived object. Even though we only show results for visual stimuli, our approach should generalize to other modalities. The system demonstrates a moving sub-network zone of synchrony, within which the contents of perception are represented and contained. This mobile zone can be viewed as a model of the neural correlate of consciousness in the brain.

Graphene field effect transistor without an energy gap.

PubMed

Jang, Min Seok; Kim, Hyungjun; Son, Young-Woo; Atwater, Harry A; Goddard, William A

2013-05-28

Graphene is a room temperature ballistic electron conductor and also a very good thermal conductor. Thus, it has been regarded as an ideal material for postsilicon electronic applications. A major complication is that the relativistic massless electrons in pristine graphene exhibit unimpeded Klein tunneling penetration through gate potential barriers. Thus, previous efforts to realize a field effect transistor for logic applications have assumed that introduction of a band gap in graphene is a prerequisite. Unfortunately, extrinsic treatments designed to open a band gap seriously degrade device quality, yielding very low mobility and uncontrolled on/off current ratios. To solve this dilemma, we propose a gating mechanism that leads to a hundredfold enhancement in on/off transmittance ratio for normally incident electrons without any band gap engineering. Thus, our saw-shaped geometry gate potential (in place of the conventional bar-shaped geometry) leads to switching to an off state while retaining the ultrahigh electron mobility in the on state. In particular, we report that an on/off transmittance ratio of 130 is achievable for a sawtooth gate with a gate length of 80 nm. Our switching mechanism demonstrates that intrinsic graphene can be used in designing logic devices without serious alteration of the conventional field effect transistor architecture. This suggests a new variable for the optimization of the graphene-based device--geometry of the gate electrode.

Calculation of Energy Diagram of Asymmetric Graded-Band-Gap Semiconductor Superlattices.

PubMed

Monastyrskii, Liubomyr S; Sokolovskii, Bogdan S; Alekseichyk, Mariya P

2017-12-01

The paper theoretically investigates the peculiarities of energy diagram of asymmetric graded-band-gap superlattices with linear coordinate dependences of band gap and electron affinity. For calculating the energy diagram of asymmetric graded-band-gap superlattices, linearized Poisson's equation has been solved for the two layers forming a period of the superlattice. The obtained coordinate dependences of edges of the conduction and valence bands demonstrate substantial transformation of the shape of the energy diagram at changing the period of the lattice and the ratio of width of the adjacent layers. The most marked changes in the energy diagram take place when the period of lattice is comparable with the Debye screening length. In the case when the lattice period is much smaller that the Debye screening length, the energy diagram has the shape of a sawtooth-like pattern.

Energy band gap and optical transition of metal ion modified double crossover DNA lattices.

PubMed

Dugasani, Sreekantha Reddy; Ha, Taewoo; Gnapareddy, Bramaramba; Choi, Kyujin; Lee, Junwye; Kim, Byeonghoon; Kim, Jae Hoon; Park, Sung Ha

2014-10-22

We report on the energy band gap and optical transition of a series of divalent metal ion (Cu(2+), Ni(2+), Zn(2+), and Co(2+)) modified DNA (M-DNA) double crossover (DX) lattices fabricated on fused silica by the substrate-assisted growth (SAG) method. We demonstrate how the degree of coverage of the DX lattices is influenced by the DX monomer concentration and also analyze the band gaps of the M-DNA lattices. The energy band gap of the M-DNA, between the lowest unoccupied molecular orbital (LUMO) and the highest occupied molecular orbital (HOMO), ranges from 4.67 to 4.98 eV as judged by optical transitions. Relative to the band gap of a pristine DNA molecule (4.69 eV), the band gap of the M-DNA lattices increases with metal ion doping up to a critical concentration and then decreases with further doping. Interestingly, except for the case of Ni(2+), the onset of the second absorption band shifts to a lower energy until a critical concentration and then shifts to a higher energy with further increasing the metal ion concentration, which is consistent with the evolution of electrical transport characteristics. Our results show that controllable metal ion doping is an effective method to tune the band gap energy of DNA-based nanostructures.

Measurement of a superconducting energy gap in a homogeneously amorphous insulator.

PubMed

Sherman, D; Kopnov, G; Shahar, D; Frydman, A

2012-04-27

We present tunneling spectroscopy measurements that directly reveal the existence of a superconducting gap in the insulating state of homogenously disordered amorphous indium oxide films. Two films on both sides of the disorder induced superconductor to insulator transition show the same energy gap scale. This energy gap persists up to relatively high magnetic fields and is observed across the magnetoresistance peak typical of disordered superconductors. The results provide useful information for understanding the nature of the insulating state in the disorder induced superconductor to insulator transition.

Physical mechanisms for reduction of the breakdown voltage in the circuit of a rod lightning protector with an opening microswitch

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bobrov, Yu. K.; Zhuravkov, I. V.; Ostapenko, E. I.

2010-12-15

The effect of air gap breakdown voltage reduction in the circuit with an opening microswitch is substantiated from the physical point of view. This effect can be used to increase the efficiency of lightning protection system with a rod lightning protector. The processes which take place in the electric circuit of a lightning protector with a microswitch during a voltage breakdown are investigated. Openings of the microswitch are shown to lead to resonance overvoltages in the dc circuit and, as a result, efficient reduction in the breakdown voltage in a lightning protector-thundercloud air gap.

Role of surface energy on the morphology and optical properties of GaP micro & nano structures grown on polar and non-polar substrates

NASA Astrophysics Data System (ADS)

Roychowdhury, R.; Kumar, Shailendra; Wadikar, A.; Mukherjee, C.; Rajiv, K.; Sharma, T. K.; Dixit, V. K.

2017-10-01

Role of surface energy on the morphology, crystalline quality, electronic structure and optical properties of GaP layer grown on Si (001), Si (111), Ge (111) and GaAs (001) is investigated. GaP layers are grown on four different substrates under identical growth kinetics by metal organic vapour phase epitaxy. The atomic force microscopy images show that GaP layer completely covers the surface of GaAs substrate. On the other hand, the surfaces of Si (001), Si (111), Ge (111) substrates are partially covered with crystallographically morphed GaP island type micro and nano-structures. Origin of these crystallographically morphed GaP island is explained by the theoretical calculation of surface energy of the layer and corresponding substrates respectively. The nature of GaP island type micro and nano-structures and layers are single crystalline with existence of rotational twins on Si and Ge (111) substrates which is confirmed by the phi, omega and omega/2theta scans of high resolution x-ray diffraction. The electronic valence band offsets between the GaP and substrates have been determined from the valence band spectra of ultraviolet photoelectron spectroscopy. The valence electron plasmon of GaP are investigated by studying the energy values of Ga (3d) core level along with loss peaks in the energy dependent photoelectron spectra. The peak observed within the range of 3-6 eV from the Ga (3d) core level in the photoelectron spectra are associated to inter band transitions as their energy values are estimated from the pseudo dielectric function by the spectroscopic ellipsometry.

Relating the defect band gap and the density functional band gap

NASA Astrophysics Data System (ADS)

Schultz, Peter; Edwards, Arthur

2014-03-01

Density functional theory (DFT) is an important tool to probe the physics of materials. The Kohn-Sham (KS) gap in DFT is typically (much) smaller than the observed band gap for materials in nature, the infamous ``band gap problem.'' Accurate prediction of defect energy levels is often claimed to be a casualty--the band gap defines the energy scale for defect levels. By applying rigorous control of boundary conditions in size-converged supercell calculations, however, we compute defect levels in Si and GaAs with accuracies of ~0.1 eV, across the full gap, unhampered by a band gap problem. Using GaAs as a theoretical laboratory, we show that the defect band gap--the span of computed defect levels--is insensitive to variations in the KS gap (with functional and pseudopotential), these KS gaps ranging from 0.1 to 1.1 eV. The defect gap matches the experimental 1.52 eV gap. The computed defect gaps for several other III-V, II-VI, I-VII, and other compounds also agree with the experimental gap, and show no correlation with the KS gap. Where, then, is the band gap problem? This talk presents these results, discusses why the defect gap and the KS gap are distinct, implying that current understanding of what the ``band gap problem'' means--and how to ``fix'' it--need to be rethought. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Company, for the U.S. Department of Energy's NNSA under contract DE-AC04-94AL85000.

A hybrid analytical model for open-circuit field calculation of multilayer interior permanent magnet machines

NASA Astrophysics Data System (ADS)

Zhang, Zhen; Xia, Changliang; Yan, Yan; Geng, Qiang; Shi, Tingna

2017-08-01

Due to the complicated rotor structure and nonlinear saturation of rotor bridges, it is difficult to build a fast and accurate analytical field calculation model for multilayer interior permanent magnet (IPM) machines. In this paper, a hybrid analytical model suitable for the open-circuit field calculation of multilayer IPM machines is proposed by coupling the magnetic equivalent circuit (MEC) method and the subdomain technique. In the proposed analytical model, the rotor magnetic field is calculated by the MEC method based on the Kirchhoff's law, while the field in the stator slot, slot opening and air-gap is calculated by subdomain technique based on the Maxwell's equation. To solve the whole field distribution of the multilayer IPM machines, the coupled boundary conditions on the rotor surface are deduced for the coupling of the rotor MEC and the analytical field distribution of the stator slot, slot opening and air-gap. The hybrid analytical model can be used to calculate the open-circuit air-gap field distribution, back electromotive force (EMF) and cogging torque of multilayer IPM machines. Compared with finite element analysis (FEA), it has the advantages of faster modeling, less computation source occupying and shorter time consuming, and meanwhile achieves the approximate accuracy. The analytical model is helpful and applicable for the open-circuit field calculation of multilayer IPM machines with any size and pole/slot number combination.

KSC-2013-2643

NASA Image and Video Library

2013-06-10

VANDENBERG AFB – The Orbital Sciences Pegasus XL rocket that will lift the solar observatory into orbit in June is seen after the payload fairing was connected over NASA's IRIS spacecraft. The work is taking place in a hangar at Vandenberg Air Force Base where IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch on a Pegasus XL rocket. Scheduled for launch from Vandenberg June 26, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: NASA/Tony Vauclin

KSC-2013-2494

NASA Image and Video Library

2013-05-29

VANDENBERG AFB, Calif. – Engineers unwrap NASA's IRIS spacecraft after its connection to the nose of an Orbital Sciences Pegasus XL rocket that will lift the solar observatory into orbit in June. The work is taking place in a hangar at Vandenberg Air Force Base where IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch on a Pegasus XL rocket. Scheduled for launch from Vandenberg June 26, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: NASA/Randy Beaudoin

KSC-2012-5601

NASA Image and Video Library

2012-09-25

Vandenberg Air Force Base, Calif. – At Vandenberg Air Force Base in California, technicians install the avionics shelf on the third stage of the Orbital Sciences Corp. Pegasus XL rocket which will launch the Interface Region Imaging Spectrograph, or IRIS, spacecraft. Scheduled for launch from Vandenberg Air Force Base no earlier than Feb. 27, 2013, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. For more information, visit http://iris.gsfc.nasa.gov Photo credit: NASA/Randy Beaudoin

KSC-2013-2493

NASA Image and Video Library

2013-05-29

VANDENBERG AFB, Calif. – Engineers unwrap NASA's IRIS spacecraft after its connection to the nose of an Orbital Sciences Pegasus XL rocket that will lift the solar observatory into orbit in June. The work is taking place in a hangar at Vandenberg Air Force Base where IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch on a Pegasus XL rocket. Scheduled for launch from Vandenberg June 26, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: NASA/Randy Beaudoin

KSC-2012-5602

NASA Image and Video Library

2012-09-25

Vandenberg Air Force Base, Calif. – At Vandenberg Air Force Base in California, technicians install the avionics shelf on the third stage of the Orbital Sciences Corp. Pegasus XL rocket which will launch the Interface Region Imaging Spectrograph, or IRIS, spacecraft. Scheduled for launch from Vandenberg Air Force Base no earlier than Feb. 27, 2013, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. For more information, visit http://iris.gsfc.nasa.gov Photo credit: NASA/Randy Beaudoin

Field-orientation dependence of low-energy quasiparticle excitations in the heavy-electron superconductor UBe(13).

PubMed

Shimizu, Yusei; Kittaka, Shunichiro; Sakakibara, Toshiro; Haga, Yoshinori; Yamamoto, Etsuji; Amitsuka, Hiroshi; Tsutsumi, Yasumasa; Machida, Kazushige

2015-04-10

Low-energy quasiparticle excitations in the superconducting (SC) state of UBe_{13} were studied by means of specific-heat (C) measurements in a rotating field. Quite unexpectedly, the magnetic-field dependence of C(H) is linear in H with no angular dependence at low fields in the SC state, implying that the gap is fully open over the Fermi surfaces, in stark contrast to previous expectations. In addition, a characteristic cubic anisotropy of C(H) was observed above 2 T with a maximum (minimum) for H∥[001] ([111]) within the (11[over ¯]0) plane, in the normal as well as in the SC states. This oscillation possibly originates from the anisotropic response of the heavy quasiparticle bands, and might be a key to understand the unusual properties of UBe_{13}.

Evaluation of open-graded friction course mixture : technical assistance report.

DOT National Transportation Integrated Search

2004-10-01

Open-graded friction course (OGFC) is a porous, gap-graded, predominantly single size aggregate bituminous mixture that contains a high percentage of air voids. The high air void content and the open structure of this mix promote the effective draina...

Forest structure of oak plantations after silvicultural treatment to enhance habitat for wildlife

USGS Publications Warehouse

Twedt, Daniel J.; Phillip, Cherrie-Lee P.; Guilfoyle, Michael P.; Wilson, R. Randy; Schweitzer, Callie Jo; Clatterbuck, Wayne K.; Oswalt, Christopher M.

2016-01-01

During the past 30 years, thousands of hectares of oak-dominated bottomland hardwood plantations have been planted on agricultural fields in the Mississippi Alluvial Valley. Many of these plantations now have closed canopies and sparse understories. Silvicultural treatments could create a more heterogeneous forest structure, with canopy gaps and increased understory vegetation for wildlife. Lack of volume sufficient for commercial harvest in hardwood plantations has impeded treatments, but demand for woody biomass for energy production may provide a viable means to introduce disturbance beneficial for wildlife. We assessed forest structure in response to prescribed pre-commercial perturbations in hardwood plantations resulting from silvicultural treatments: 1) row thinning by felling every fourth planted row; 2) multiple patch cuts with canopy gaps of <1 0.25 – 2 ha; and 3) tree removal on intersecting corridors diagonal to planted rows. These 3 treatments, and an untreated control, were applied to oak plantations (20 - 30 years post-planting) on three National Wildlife Refuges (Cache River, AR; Grand Cote, LA; and Yazoo, MS) during summer 2010. We sampled habitat using fixed-radius plots in 2009 (pre-treatment) and in 2012 (post-treatment) at random locations. Retained basal area was least in diagonal corridor treatments but had greater variance in patch-cut treatments. All treatments increased canopy openness and the volume of coarse woody debris. Occurrence of birds using early successional habitats was greater on sites treated with patch cuts and diagonal intersections. Canopy openings on row-thinned stands are being filled by lateral crown growth of retained trees whereas patch cut and diagonal intersection gaps appear likely to be filled by regenerating saplings.

Enhanced performance of polymer solar cells by employing a ternary cascade energy structure.

PubMed

An, Qiaoshi; Zhang, Fujun; Li, Lingliang; Zhuo, Zuliang; Zhang, Jian; Tang, Weihua; Teng, Feng

2014-08-14

We present a route to successfully tackle the two main limitations, low open circuit voltage (Voc) and limited short circuit-density (Jsc), of polymer solar cells (PSCs) based on poly(3-hexylthiophene) (P3HT) as an electron-donor. The indene-C60 bisadduct (ICBA) was selected as an electron acceptor to improve the open circuit voltage (Voc). The narrow band gap polymer poly[(4,8-bis-(2-ethylhexyloxy)-benzo[1,2-b:4,5-b']dithiophene)-2,6-diyl-alt-(4-(2-ethylhexanoyl)-thieno[3,4-b]thiophene)-2,6-diyl] (PBDTTT-C), as a complementary electron-donor material, was doped into the host system of P3HT:ICBA to form ternary cascade energy structured PSCs with increased Jsc. The power conversion efficiency (PCE) of P3HT:ICBA-based cells was improved from 3.32% to 4.38% by doping with 3 wt% PBDTTT-C with 1 min 150 °C annealing treatment. The 4.38% PCE of ternary PSCs is still larger than the 3.79% PCE of PSCs based on P3HT:ICBA with 10 minutes 150 °C annealing treatment.

Structural fluctuation governed dynamic diradical character in pentacene.

PubMed

Yang, Hongfang; Chen, Mengzhen; Song, Xinyu; Bu, Yuxiang

2015-06-07

We unravel intriguing dynamical diradical behavior governed by structural fluctuation in pentacene using ab initio molecular dynamics simulation. In contrast to static equilibrium configuration of pentacene with a closed-shell ground state without diradical character, due to structural fluctuation, some of its dynamical snapshot configurations exhibit an open-shell broken-symmetry singlet ground state with diradical character, and such diradical character presents irregular pulsing behavior in time evolution. Not all structural changes can lead to diradical character, only those involving the shortening of cross-linking C-C bonds and variations of the C-C bonds in polyacetylene chains are the main contributors. This scenario about diradicalization is distinctly different from that in long acenes. The essence is that structural distortion cooperatively raises the HOMO and lowers the LUMO, efficiently reducing the HOMO-LUMO and singlet-triplet energy gaps, which facilitate the formation of a broken-symmetry open-shell singlet state. The irregular pulsing behavior originates from the mixing of normal vibrations in pentacene. This fascinating behavior suggests the potential application of pentacene as a suitable building block in the design of new electronic devices due to its magnetism-controllability through energy induction. This work provides new insight into inherent electronic property fluctuation in acenes.

Thermally evaporated Cu2ZnSnS4 solar cells

NASA Astrophysics Data System (ADS)

Wang, K.; Gunawan, O.; Todorov, T.; Shin, B.; Chey, S. J.; Bojarczuk, N. A.; Mitzi, D.; Guha, S.

2010-10-01

High efficiency Cu2ZnSnS4 solar cells have been fabricated on glass substrates by thermal evaporation of Cu, Zn, Sn, and S. Solar cells with up to 6.8% efficiency were obtained with absorber layer thicknesses less than 1 μm and annealing times in the minutes. Detailed electrical analysis of the devices indicate that the performance of the devices is limited by high series resistance, a "double diode" behavior of the current voltage characteristics, and an open circuit voltage that is limited by a carrier recombination process with an activation energy below the band gap of the material.

Phonon-Induced Topological Transition to a Type-II Weyl Semimetal

NASA Astrophysics Data System (ADS)

Wang, Lin-Lin; Jo, Na Hyun; Wu, Yun; Kaminski, Adam; Canfield, Paul C.; Johnson, Duane D.

The emergence of topological quantum states requires certain combinations of crystalline symmetry with or without time reversal symmetry. Without restricting to searches for crystal structures with non-symmorphic symmetry operations in the space groups, we have studied the interplay between crystal symmetry, atomic displacements (lattice vibration), band degeneracy and topology. For a system with a full gap opening between the two band manifolds near the Fermi energy, we show that small atomic displacements (accessible via optical phonons near room temperature) can lower the symmetry to induce type-II Weyl points at the boundary between a pair of closely-lying electron and hole pockets. DOE Ames Laboratory LDRD.

Partially filled intermediate band of Cr-doped GaN films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sonoda, S.

2012-05-14

We investigated the band structure of sputtered Cr-doped GaN (GaCrN) films using optical absorption, photoelectron yield spectroscopy, and charge transport measurements. It was found that an additional energy band is formed in the intrinsic band gap of GaN upon Cr doping, and that charge carriers in the material move in the inserted band. Prototype solar cells showed enhanced short circuit current and open circuit voltage in the n-GaN/GaCrN/p-GaN structure compared to the GaCrN/p-GaN structure, which validates the proposed concept of an intermediate-band solar cell.

Birefringence in a chiral medium, via temporal cloaking

NASA Astrophysics Data System (ADS)

Khan, Humayun; Haneef, Muhammad

2017-05-01

This paper reports theoretical investigation of birefringence in a chiral medium for the creation of temporal cloaking. The chiral medium splits the input probe beam into left/right circular polarized beams. These left/right circular polarized beams are then controlled and modified within the chiral medium. The left circular polarized beam delays by 24 ns whereas the right circular polarized beam advances by  -23 ns at a control field of rabbi frequency 6γ . This opens a 47 ns time gap for temporal cloaking to hide information without noise corruption and energy loss. The results have potential applications in communication devices for secure propagation of light pulse.

Collimation study for LCLS

DOE PAGES

Marin, E.; Raubenhaimer, T.; Welch, J.; ...

2017-06-13

In this study we investigate the power deposition along the undulator section of the SLAC Linac Coherent Light Source (LCLS) due to the primary e¯ -beam but also due to potential secondary particles. The expected beam distribution after the LCLS injector is deliberately broadened as an approximated representation of the beam halo. Secondary particles, as e +, e¯ and photons, are generated as a result of tracking the intercepted beam through a dense material. This process is carried out by means of GEANT-4, which has been convoluted into our main tracking engine, LUCRETIA. Simulations show no losses along the undulatormore » section when assuming the nominal primary beam and collimator gaps. However when opening the gaps of collimators located at the first collimator section, by 25%, the fattened beam is partially intercepted by the second collimator section, which is aligned to the undulators. Secondary particles, mostly photons generated at the second collimator section, deposit their energy along the undulator section, at a rate of the order of a milliwatt.« less

Localized end states in density modulated quantum wires and rings.

PubMed

Gangadharaiah, Suhas; Trifunovic, Luka; Loss, Daniel

2012-03-30

We study finite quantum wires and rings in the presence of a charge-density wave gap induced by a periodic modulation of the chemical potential. We show that the Tamm-Shockley bound states emerging at the ends of the wire are stable against weak disorder and interactions, for discrete open chains and for continuum systems. The low-energy physics can be mapped onto the Jackiw-Rebbi equations describing massive Dirac fermions and bound end states. We treat interactions via the continuum model and show that they increase the charge gap and further localize the end states. The electrons placed in the two localized states on the opposite ends of the wire can interact via exchange interactions and this setup can be used as a double quantum dot hosting spin qubits. The existence of these states could be experimentally detected through the presence of an unusual 4π Aharonov-Bohm periodicity in the spectrum and persistent current as a function of the external flux.

Collimation study for LCLS

NASA Astrophysics Data System (ADS)

Marin, E.; Raubenhaimer, T.; Welch, J.; White, G.

2017-09-01

In this paper we investigate the power deposition along the undulator section of the SLAC Linac Coherent Light Source (LCLS) due to the primary e--beam but also due to potential secondary particles. The expected beam distribution after the LCLS injector is deliberately broadened as an approximated representation of the beam halo. Secondary particles, as e+, e- and photons, are generated as a result of tracking the intercepted beam through a dense material. This process is carried out by means of GEANT-4, which has been convoluted into our main tracking engine, LUCRETIA. Simulations show no losses along the undulator section when assuming the nominal primary beam and collimator gaps. However when opening the gaps of collimators located at the first collimator section, by 25%, the fattened beam is partially intercepted by the second collimator section, which is aligned to the undulators. Secondary particles, mostly photons generated at the second collimator section, deposit their energy along the undulator section, at a rate of the order of a milliwatt.

Interfacial superconductivity in a bi-collinear antiferromagnetically ordered FeTe monolayer on a topological insulator

NASA Astrophysics Data System (ADS)

Manna, S.; Kamlapure, A.; Cornils, L.; Hänke, T.; Hedegaard, E. M. J.; Bremholm, M.; Iversen, B. B.; Hofmann, Ph.; Wiebe, J.; Wiesendanger, R.

2017-01-01

The discovery of high-temperature superconductivity in Fe-based compounds triggered numerous investigations on the interplay between superconductivity and magnetism, and on the enhancement of transition temperatures through interface effects. It is widely believed that the emergence of optimal superconductivity is intimately linked to the suppression of long-range antiferromagnetic (AFM) order, although the exact microscopic picture remains elusive because of the lack of atomically resolved data. Here we present spin-polarized scanning tunnelling spectroscopy of ultrathin FeTe1-xSex (x=0, 0.5) films on bulk topological insulators. Surprisingly, we find an energy gap at the Fermi level, indicating superconducting correlations up to Tc~6 K for one unit cell FeTe grown on Bi2Te3, in contrast to the non-superconducting bulk FeTe. The gap spatially coexists with bi-collinear AFM order. This finding opens perspectives for theoretical studies of competing orders in Fe-based superconductors and for experimental investigations of exotic phases in superconducting layers on topological insulators.

Band-gap tuning and optical response of two-dimensional Si x C 1 - x : A first-principles real-space study of disordered two-dimensional materials

DOE PAGES

Sadhukhan, Banasree; Singh, Prashant; Nayak, Arabinda; ...

2017-08-09

We present a real-space formulation for calculating the electronic structure and optical conductivity of random alloys based on Kubo-Greenwood formalism interfaced with augmented space recursion technique formulated with the tight-binding linear muffin-tin orbital basis with the van Leeuwen–Baerends corrected exchange potential. This approach has been used to quantitatively analyze the effect of chemical disorder on the configuration averaged electronic properties and optical response of two-dimensional honeycomb siliphene Si xC 1–x beyond the usual Dirac-cone approximation. We predicted the quantitative effect of disorder on both the electronic structure and optical response over a wide energy range, and the results are discussedmore » in the light of the available experimental and other theoretical data. As a result, our proposed formalism may open up a facile way for planned band-gap engineering in optoelectronic applications.« less

Substituent effects on furan-phenylene copolymer for photovoltaic improvement: A density functional study

NASA Astrophysics Data System (ADS)

Janprapa, Nuttaporn; Vchirawongkwin, Viwat; Kritayakornupong, Chinapong

2018-06-01

The structural, electronic and photovoltaic properties of furan-phenylene copolymer ((Fu-co-Ph)4) and its derivatives were evaluated using density functional theory (DFT) and time-dependent density functional theory (TD-DFT). The calculated band gaps of pristine furan and phenylene are in good agreement with the available experimental data. The lower band gap value of 2.72 eV was obtained from -NO2 and -NHCH3 substituents, leading to broader solar absorption range. With respected to the reorganization energy, -OCH3, -NHCH3, -OH, -SCH3, -CH3, -CF3, -NO2, and -F substituted (Fu-co-Ph)4 structures were classified as better electron donor materials. For combination with PC61BM, -NO2, -CN, -CF3 and -F functionalized copolymers demonstrated significantly higher open circuit voltage (Voc) values ranging from 1.07 to 2.10 eV. Our results revealed that electron withdrawing group substitution on furan-phenylene copolymers was an effective way for improving electronic and optical properties of donor materials used in photovoltaic applications.

Non-Thermal Spectra from Pulsar Magnetospheres in the Full Electromagnetic Cascade Scenario

NASA Astrophysics Data System (ADS)

Peng, Qi-Yong; Zhang, Li

2008-08-01

We simulated non-thermal emission from a pulsar magnetosphere within the framework of a full polar-cap cascade scenario by taking the acceleration gap into account, using the Monte Carlo method. For a given electric field parallel to open field lines located at some height above the surface of a neutron star, primary electrons were accelerated by parallel electric fields and lost their energies by curvature radiation; these photons were converted to electron-positron pairs, which emitted photons through subsequent quantum synchrotron radiation and inverse Compton scattering, leading to a cascade. In our calculations, the acceleration gap was assumed to be high above the stellar surface (about several stellar radii); the primary and secondary particles and photons emitted during the journey of those particles in the magnetosphere were traced using the Monte Carlo method. In such a scenario, we calculated the non-thermal photon spectra for different pulsar parameters and compared the model results for two normal pulsars and one millisecond pulsar with the observed data.

Spin-curvature interaction from curved Dirac equation: Application to single-wall carbon nanotubes

NASA Astrophysics Data System (ADS)

Zhang, Kai; Zhang, Erhu; Chen, Huawei; Zhang, Shengli

2017-06-01

The spin-curvature interaction (SCI) and its effects are investigated based on curved Dirac equation. Through the low-energy approximation of curved Dirac equation, the Hamiltonian of SCI is obtained and depends on the geometry and spinor structure of manifold. We find that the curvature can be considered as field strength and couples with spin through Zeeman-like term. Then, we use dimension reduction to derive the local Hamiltonian of SCI for cylinder surface, which implies that the effective Hamiltonian of single-wall carbon nanotubes results from the geometry and spinor structure of lattice and includes two types of interactions: one does not break any symmetries of the lattice and only shifts the Dirac points for all nanotubes, while the other one does and opens the gaps except for armchair nanotubes. At last, analytical expressions of the band gaps and the shifts of their positions induced by curvature are given for metallic nanotubes. These results agree well with experiments and can be verified experimentally.

Andreev rectifier: A nonlocal conductance signature of topological phase transitions

NASA Astrophysics Data System (ADS)

Rosdahl, T. Ö.; Vuik, A.; Kjaergaard, M.; Akhmerov, A. R.

2018-01-01

The proximity effect in hybrid superconductor-semiconductor structures, crucial for realizing Majorana edge modes, is complicated to control due to its dependence on many unknown microscopic parameters. In addition, defects can spoil the induced superconductivity locally in the proximitized system, which complicates measuring global properties with a local probe. We show how to use the nonlocal conductance between two spatially separated leads to probe three global properties of a proximitized system: the bulk superconducting gap, the induced gap, and the induced coherence length. Unlike local conductance spectroscopy, nonlocal conductance measurements distinguish between nontopological zero-energy modes localized around potential inhomogeneities, and true Majorana edge modes that emerge in the topological phase. In addition, we find that the nonlocal conductance is an odd function of bias at the topological phase transition, acting as a current rectifier in the low-bias limit. More generally, we identify conditions for crossed Andreev reflection to dominate the nonlocal conductance and show how to design a Cooper pair splitter in the open regime.

Band-gap tuning and optical response of two-dimensional Si x C 1 - x : A first-principles real-space study of disordered two-dimensional materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sadhukhan, Banasree; Singh, Prashant; Nayak, Arabinda

We present a real-space formulation for calculating the electronic structure and optical conductivity of random alloys based on Kubo-Greenwood formalism interfaced with augmented space recursion technique formulated with the tight-binding linear muffin-tin orbital basis with the van Leeuwen–Baerends corrected exchange potential. This approach has been used to quantitatively analyze the effect of chemical disorder on the configuration averaged electronic properties and optical response of two-dimensional honeycomb siliphene Si xC 1–x beyond the usual Dirac-cone approximation. We predicted the quantitative effect of disorder on both the electronic structure and optical response over a wide energy range, and the results are discussedmore » in the light of the available experimental and other theoretical data. As a result, our proposed formalism may open up a facile way for planned band-gap engineering in optoelectronic applications.« less

Nonlocal kinetic energy functional from the jellium-with-gap model: Applications to orbital-free density functional theory

NASA Astrophysics Data System (ADS)

Constantin, Lucian A.; Fabiano, Eduardo; Della Sala, Fabio

2018-05-01

Orbital-free density functional theory (OF-DFT) promises to describe the electronic structure of very large quantum systems, being its computational cost linear with the system size. However, the OF-DFT accuracy strongly depends on the approximation made for the kinetic energy (KE) functional. To date, the most accurate KE functionals are nonlocal functionals based on the linear-response kernel of the homogeneous electron gas, i.e., the jellium model. Here, we use the linear-response kernel of the jellium-with-gap model to construct a simple nonlocal KE functional (named KGAP) which depends on the band-gap energy. In the limit of vanishing energy gap (i.e., in the case of metals), the KGAP is equivalent to the Smargiassi-Madden (SM) functional, which is accurate for metals. For a series of semiconductors (with different energy gaps), the KGAP performs much better than SM, and results are close to the state-of-the-art functionals with sophisticated density-dependent kernels.

Open Educational Practices and Attitudes to Openness across India: Reporting the Findings of the Open Education Research Hub Pan-India Survey

ERIC Educational Resources Information Center

Perryman, Leigh-Anne; Seal, Tim

2016-01-01

In recent years India has shown a growing appetite for open educational resources (OER) and open educational practices (OEP). Despite this, there is a paucity of research on OER use and impact, the extensiveness of OEP, and attitudes towards openness in India. This paper reports on research intended to help fill that knowledge gap by conducting a…

Modeling US Adult Obesity Trends: A System Dynamics Model for Estimating Energy Imbalance Gap

PubMed Central

Rahmandad, Hazhir; Huang, Terry T.-K.; Bures, Regina M.; Glass, Thomas A.

2014-01-01

Objectives. We present a system dynamics model that quantifies the energy imbalance gap responsible for the US adult obesity epidemic among gender and racial subpopulations. Methods. We divided the adult population into gender–race/ethnicity subpopulations and body mass index (BMI) classes. We defined transition rates between classes as a function of metabolic dynamics of individuals within each class. We estimated energy intake in each BMI class within the past 4 decades as a multiplication of the equilibrium energy intake of individuals in that class. Through calibration, we estimated the energy gap multiplier for each gender–race–BMI group by matching simulated BMI distributions for each subpopulation against national data with maximum likelihood estimation. Results. No subpopulation showed a negative or zero energy gap, suggesting that the obesity epidemic continues to worsen, albeit at a slower rate. In the past decade the epidemic has slowed for non-Hispanic Whites, is starting to slow for non-Hispanic Blacks, but continues to accelerate among Mexican Americans. Conclusions. The differential energy balance gap across subpopulations and over time suggests that interventions should be tailored to subpopulations’ needs. PMID:24832405

Energy efficient skylight construction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jentoft, A.P.; Couture, P.A.

1978-02-14

An energy efficient skylight construction is described. A skylight cover is secured by a frame to a curbing comprised of an insulating core, the interior and exterior surfaces of which are covered by non-combustible shields separated along the upper and lower surfaces of the curbing by a gap which serves as a ''thermal break'' between the highly conductive inner and outer shields. The frame is pierced by drain openings the exterior of which are covered by a filter type material such as foam or glass fibers that is both absorbtive of moisture and resistant to the passage of air. Themore » frame is secured to the outward portion of the curbing and includes a flange extending inward across the gap between the shields, which serves as a gutter to collect condensation which drips off the glazing. The inward portion of the flange is covered with an insulating gasket which prevents condensation from forming on the flange and which prevents the warmer, more moisture laden, inside air from reaching the cold underside of the gutter flange or the edge of the outerskin. The core insulation is inserted, without adhesives, into the assembled inside skin, and then the exposed surface of the insulation is bonded to the inside surface of the outer skin.« less

Band gap renormalization and Burstein-Moss effect in silicon- and germanium-doped wurtzite GaN up to 1020 cm-3

NASA Astrophysics Data System (ADS)

Feneberg, Martin; Osterburg, Sarah; Lange, Karsten; Lidig, Christian; Garke, Bernd; Goldhahn, Rüdiger; Richter, Eberhard; Netzel, Carsten; Neumann, Maciej D.; Esser, Norbert; Fritze, Stephanie; Witte, Hartmut; Bläsing, Jürgen; Dadgar, Armin; Krost, Alois

2014-08-01

The interplay between band gap renormalization and band filling (Burstein-Moss effect) in n-type wurtzite GaN is investigated. For a wide range of electron concentrations up to 1.6×1020cm-3 spectroscopic ellipsometry and photoluminescence were used to determine the dependence of the band gap energy and the Fermi edge on electron density. The band gap renormalization is the dominating effect up to an electron density of about 9×1018cm-3; at higher values the Burstein-Moss effect is stronger. Exciton screening, the Mott transition, and formation of Mahan excitons are discussed. A quantitative understanding of the near gap transition energies on electron density is obtained. Higher energy features in the dielectric functions up to 10eV are not influenced by band gap renormalization.

Study on the characteristics of a two gap capillary discharge

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huang, D.; Yang, L. J., E-mail: yanglj@mail.xjtu.edu.cn; Huo, P.

2015-02-15

The paper presents a new two-gap capillary (TGC) discharge structure. The prominent innovation is the introduction of the middle electrode, which divides the capillary into the trigger gap and the main gap. The discharge circuit of the TGC comprises the trigger circuit and the main circuit. The two circuits are used for the pre-ionization of the trigger gap and providing energy of 450 J for the main gap arc discharging, respectively. When the discharge initiates, the trigger gap is pre-ionized under high voltage pulse produced by trigger circuit, and meanwhile, the weakly ionized plasma is generated. The main circuit then maintainsmore » the expansion of the plasma, which is called soft capillary discharge. Afterwards, the main gap is shorted and discharges under a relatively low voltage. With the optimization of the circuit parameter, both the energy deposition ratio in main gap and the degree of plasma ionization are enhanced. The efficiency of the energy deposition is almost twice higher compared with that of the conventional capillary structure. The life performance test indicates that the erosion of the middle electrode and the trigger gap carbonization are the key factors that limit the life performance of the TGC.« less

Flight Test of a 40-Foot Nominal Diameter Disk-Gap-Band Parachute Deployed at a Mach Number of 3.31 and a Dynamic Pressure of 10.6 Pounds per Square Foot

NASA Technical Reports Server (NTRS)

Eckstrom, Clinton V.

1969-01-01

A 40-foot-nominal-diameter (12.2 meter) disk-gap-band parachute was flight tested as part of the NASA supersonic high altitude parachute experiment (SHAPE) program. The test parachute (which included an experimental energy absorber in the attachment riser) was deployed from an instrumented payload by means of a deployment mortar when the payload was at a Mach number of 3.31 and a free-stream dynamic pressure of 10.6 pounds per square foot (508 newtons per square meter). The parachute deployed properly, the canopy inflating to a full-open condition at 1.03 seconds after mortar firing. The first full inflation of the canopy was immediately followed by a partial collapse with subsequent oscillations of the frontal area from about 30 to 75 percent of the full-open frontal area. After 1.07 seconds of operation, a large tear appeared in the cloth near the canopy apex. This tear was followed by two additional tears shortly thereafter. It was later determined that a section of the canopy cloth was severely weakened by the effects of aerodynamic heating. As a result of the damage to the disk area of the canopy, the parachute performance was significantly reduced; however, the parachute remained operationally intact throughout the flight test and the instrumented payload was recovered undamaged.

Reduced voltage losses yield 10% efficient fullerene free organic solar cells with >1 V open circuit voltages.

PubMed

Baran, D; Kirchartz, T; Wheeler, S; Dimitrov, S; Abdelsamie, M; Gorman, J; Ashraf, R S; Holliday, S; Wadsworth, A; Gasparini, N; Kaienburg, P; Yan, H; Amassian, A; Brabec, C J; Durrant, J R; McCulloch, I

2016-12-01

Optimization of the energy levels at the donor-acceptor interface of organic solar cells has driven their efficiencies to above 10%. However, further improvements towards efficiencies comparable with inorganic solar cells remain challenging because of high recombination losses, which empirically limit the open-circuit voltage ( V oc ) to typically less than 1 V. Here we show that this empirical limit can be overcome using non-fullerene acceptors blended with the low band gap polymer PffBT4T-2DT leading to efficiencies approaching 10% (9.95%). We achieve V oc up to 1.12 V, which corresponds to a loss of only E g / q - V oc = 0.5 ± 0.01 V between the optical bandgap E g of the polymer and V oc . This high V oc is shown to be associated with the achievement of remarkably low non-geminate and non-radiative recombination losses in these devices. Suppression of non-radiative recombination implies high external electroluminescence quantum efficiencies which are orders of magnitude higher than those of equivalent devices employing fullerene acceptors. Using the balance between reduced recombination losses and good photocurrent generation efficiencies achieved experimentally as a baseline for simulations of the efficiency potential of organic solar cells, we estimate that efficiencies of up to 20% are achievable if band gaps and fill factors are further optimized.

Open Screw Placement in a 1.5 mm LCP Over a Fracture Gap Decreases Fatigue Life

PubMed Central

Alwen, Sarah G. J.; Kapatkin, Amy S.; Garcia, Tanya C.; Milgram, Joshua; Stover, Susan M.

2018-01-01

Objective To investigate the influence of plate and screw hole position on the stability of simulated radial fractures stabilized with a 1.5 mm condylar locking compression plate (LCP). Study Design In vitro mechanical testing of paired cadaveric limbs. Sample Population Paired radii (n = 7) stabilized with a 1.5 mm condylar LCP with an open screw hole positioned either proximal to (PG), or over (OG), a simulated small fracture gap. Methods Constructs were cycled in axial compression at a simulated trot load until failure or a maximum of 200,000 cycles. Specimens that sustained 200,000 cycles without failure were then loaded in axial compression in a single cycle to failure. Construct cyclic axial stiffness and gap strain, fatigue life, and residual strength were evaluated and compared between constructs using analysis of variance. Results Of pairs that had a failure during cyclic loading, OG constructs survived fewer cycles (54,700 ± 60,600) than PG (116,800 ± 49,300). OG constructs had significantly lower initial stiffness throughout cyclic loading and higher gap strain range within the first 1,000 cycles than PG constructs. Residual strength variables were not significantly different between constructs, however yield loads occurred at loads only marginally higher than approximated trot loads. Fatigue life decreased with increasing body weight. Conclusion Fracture fixation stability is compromised by an open screw hole directly over a fracture gap compared to the open screw hole being buttressed by bone in the model studied. The 1.5 mm condylar LCP may be insufficient stabilization in dogs with appropriate radial geometry but high body weights. PMID:29876361

Imaging Dirac-mass disorder from magnetic dopant atoms in the ferromagnetic topological insulator Crx(Bi0.1Sb0.9)2-xTe3.

PubMed

Lee, Inhee; Kim, Chung Koo; Lee, Jinho; Billinge, Simon J L; Zhong, Ruidan; Schneeloch, John A; Liu, Tiansheng; Valla, Tonica; Tranquada, John M; Gu, Genda; Davis, J C Séamus

2015-02-03

To achieve and use the most exotic electronic phenomena predicted for the surface states of 3D topological insulators (TIs), it is necessary to open a "Dirac-mass gap" in their spectrum by breaking time-reversal symmetry. Use of magnetic dopant atoms to generate a ferromagnetic state is the most widely applied approach. However, it is unknown how the spatial arrangements of the magnetic dopant atoms influence the Dirac-mass gap at the atomic scale or, conversely, whether the ferromagnetic interactions between dopant atoms are influenced by the topological surface states. Here we image the locations of the magnetic (Cr) dopant atoms in the ferromagnetic TI Cr0.08(Bi0.1Sb0.9)1.92Te3. Simultaneous visualization of the Dirac-mass gap Δ(r) reveals its intense disorder, which we demonstrate is directly related to fluctuations in n(r), the Cr atom areal density in the termination layer. We find the relationship of surface-state Fermi wavevectors to the anisotropic structure of Δ(r) not inconsistent with predictions for surface ferromagnetism mediated by those states. Moreover, despite the intense Dirac-mass disorder, the anticipated relationship [Formula: see text] is confirmed throughout and exhibits an electron-dopant interaction energy J* = 145 meV·nm(2). These observations reveal how magnetic dopant atoms actually generate the TI mass gap locally and that, to achieve the novel physics expected of time-reversal symmetry breaking TI materials, control of the resulting Dirac-mass gap disorder will be essential.

Effect of cell thickness on the electrical and optical properties of thin film silicon solar cell

NASA Astrophysics Data System (ADS)

Zaki, A. A.; El-Amin, A. A.

2017-12-01

In this work Electrical and optical properties of silicon thin films with different thickness were measured. The thickness of the Si films varied from 100 to 800 μm. The optical properties of the cell were studied at different thickness. A maximum achievable current density (MACD) generated by a planar solar cell, was measured for different values of the cell thickness which was performed by using photovoltaic (PV) optics method. It was found that reducing the values of the cell thickness improves the open-circuit voltage (VOC) and the fill factor (FF) of the solar cell. The optical properties were measured for thin film Si (TF-Si) at different thickness by using the double beam UV-vis-NIR spectrophotometer in the wavelength range of 300-2000 nm. Some of optical parameters such as refractive index with dispersion relation, the dispersion energy, the oscillator energy, optical band gap energy were calculated by using the spectra for the TF-Si with different thickness.

Photoemission of Energetic Hot Electrons Produced via Up-Conversion in Doped Quantum Dots.

PubMed

Dong, Yitong; Parobek, David; Rossi, Daniel; Son, Dong Hee

2016-11-09

The benefits of the hot electrons from semiconductor nanostructures in photocatalysis or photovoltaics result from their higher energy compared to that of the band-edge electrons facilitating the electron-transfer process. The production of high-energy hot electrons usually requires short-wavelength UV or intense multiphoton visible excitation. Here, we show that highly energetic hot electrons capable of above-threshold ionization are produced via exciton-to-hot-carrier up-conversion in Mn-doped quantum dots under weak band gap excitation (∼10 W/cm 2 ) achievable with the concentrated solar radiation. The energy of hot electrons is as high as ∼0.4 eV above the vacuum level, much greater than those observed in other semiconductor or plasmonic metal nanostructures, which are capable of performing energetically and kinetically more-challenging electron transfer. Furthermore, the prospect of generating solvated electron is unique for the energetic hot electrons from up-conversion, which can open a new door for long-range electron transfer beyond short-range interfacial electron transfer.

NREL Tests Energy Storage System to Fill Renewable Gaps | News | NREL

Science.gov Websites

Tests Energy Storage System to Fill Renewable Gaps NREL Tests Energy Storage System to Fill -megawatt energy storage system from Renewable Energy Systems (RES) Americas will assist research that aims to optimize the grid for wind and solar plants. The system arrived at NREL's National Wind Technology

Nutrition strategies before and during ultra-endurance event: A significant gap between science and practice.

PubMed

Papadopoulou, S K; Xyla, E E; Methenitis, S; Feidantsis, K G; Kotsis, Y; Pagkalos, I G; Hassapidou, M N

2018-03-01

The purpose of this study was to investigate and assess the nutritional practices of open-water swimmers, during the preparation period and the competition, as well as their implications on performance and anthropometric parameters according to their age. Twenty-four (n = 24) men open-water swimmers, twelve young (26.3 ± 4.9 years) and twelve older athletes (45.8 ± 9.7 years), participated in this study. Nutritional behavior-energy intake consumption, and anthropometric characteristics were evaluated prior to the Toroneos Gulf crossing (26 km). In addition, nutritional intakes during the race and anthropometrics after the race were also evaluated. Significant differences between the two groups were found for Toroneos Gulf crossing performance, BMI, and all variables of body composition at the preparation period (P < .05). The results involving energy consumption, in both preparation period and during the race, displayed significant differences between the two groups, while both groups exhibited significantly negative energy balances. During the race, significant differences were found also for the energy expenditure, relative energy intake, negative energy balance, relative consumption of carbohydrates per hour, and relative protein intake (P < .05). In both groups, lower intakes than the recommended were observed for macronutrient-micronutrient elements at any time point. Significant correlations were found between selected variables of body composition, nutritional intakes during the preparation period and the competition, and athletes' performance. In summary, this study provides strong evidence about the malnutrition of ultra-endurance swimmers prior and during their competition, with potential dangers for their health and performance as certain deficiencies in both macro- and micronutrient contents are present. © 2017 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Quasiparticle Energies and Band Gaps in Graphene Nanoribbons

NASA Astrophysics Data System (ADS)

Yang, Li; Park, Cheol-Hwan; Son, Young-Woo; Cohen, Marvin L.; Louie, Steven G.

2007-11-01

We present calculations of the quasiparticle energies and band gaps of graphene nanoribbons (GNRs) carried out using a first-principles many-electron Green’s function approach within the GW approximation. Because of the quasi-one-dimensional nature of a GNR, electron-electron interaction effects due to the enhanced screened Coulomb interaction and confinement geometry greatly influence the quasiparticle band gap. Compared with previous tight-binding and density functional theory studies, our calculated quasiparticle band gaps show significant self-energy corrections for both armchair and zigzag GNRs, in the range of 0.5 3.0 eV for ribbons of width 2.4 0.4 nm. The quasiparticle band gaps found here suggest that use of GNRs for electronic device components in ambient conditions may be viable.

Energy loss in spark gap switches

DOE Office of Scientific and Technical Information (OSTI.GOV)

Oreshkin, V. I., E-mail: oreshkin@ovpe.hcei.tsc.ru; Lavrinovich, I. V.; National Research Tomsk Polytechnic University, Lenin Avenue 30, 634050 Tomsk

2014-04-15

The paper reports on numerical study of the energy loss in spark gap switches. The operation of the switches is analyzed using the Braginsky model which allows calculation of the time dependence of the spark channel resistance. The Braginsky equation is solved simultaneously with generator circuit equations for different load types. Based on the numerical solutions, expressions which determine both the energy released in a spark gap switch and the switching time are derived.

Simple intrinsic defects in GaP and InP

NASA Astrophysics Data System (ADS)

Schultz, Peter A.

2012-02-01

To faithfully simulate evolution of defect chemistry and electrical response in irradiated semiconductor devices requires accurate defect reaction energies and energy levels. In III-Vs, good data is scarce, theory hampered by band gap and supercell problems. I apply density functional theory (DFT) to intrinsic defects in GaP and InP, predicting stable charge states, ground state configurations, defect energy levels, and identifying mobile species. The SeqQuest calculations incorporate rigorous charge boundary conditions removing supercell artifacts, demonstrated converged to the infinite limit. Computed defect levels are not limited by a band gap problem, despite Kohn-Sham gaps much smaller than the experimental gap. As in GaAs, [P.A. Schultz and O.A. von Lilienfeld, Modeling Simul. Mater. Sci. Eng. 17, 084007 (2009)], defects in GaP and InP exhibit great complexity---multitudes of charge states, bistabilities, and negative U systems---but show similarities to each other (and to GaAs). Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Company, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Capacity-Building in Open Education: An Australian Approach

ERIC Educational Resources Information Center

Bossu, Carina; Fountain, Wendy

2015-01-01

Addressing the gap between global open educational resource (OER) proliferation and the slow adoption of OER and open educational practices (OEP) in Australian higher education, this paper focuses on a capacity-building project targeting academics, academic support staff and educational developers. The conception, design, development, piloting and…

Bridging the Theory-to-Practice Gap: Some Thoughts from an Internal OD Consultant

ERIC Educational Resources Information Center

Myers, Nancy F.

2008-01-01

In this article, the author shares her thoughts on bridging the theory-to-practice gap in human resource development (HRD). She says both theorists and practitioners are responsible for the gap between theory and practice. They need to open up their respective cultures to each other and invite one another to participate. They have to discard…

Alaska's Dependence on State Spending. ISER Fiscal Policy Papers, No. 5.

ERIC Educational Resources Information Center

Goldsmith, Scott; And Others

Alaska will face a large fiscal gap and growing budget deficits in the near future. The timing of such fiscal gap open hinges on the joint effect of state budget growth and the oil price change. This paper explains Alaska's dependence on state spending and offers policy options addressing the fiscal gap. State spending: (1) supports nearly one in…

FAST OPENING SWITCH

DOEpatents

Bender, M.; Bennett, F.K.; Kuckes, A.F.

1963-09-17

A fast-acting electric switch is described for rapidly opening a circuit carrying large amounts of electrical power. A thin, conducting foil bridges a gap in this circuit and means are provided for producing a magnetic field and eddy currents in the foil, whereby the foil is rapidly broken to open the circuit across the gap. Advantageously the foil has a hole forming two narrow portions in the foil and the means producing the magnetic field and eddy currents comprises an annular coil having its annulus coaxial with the hole in the foil and turns adjacent the narrow portions of the foil. An electrical current flows through the coil to produce the magnetic field and eddy currents in the foil. (AEC)

Closing gaps between open software and public data in a hackathon setting: User-centered software prototyping

PubMed Central

Busby, Ben; Lesko, Matthew; Federer, Lisa

2016-01-01

In genomics, bioinformatics and other areas of data science, gaps exist between extant public datasets and the open-source software tools built by the community to analyze similar data types.  The purpose of biological data science hackathons is to assemble groups of genomics or bioinformatics professionals and software developers to rapidly prototype software to address these gaps.  The only two rules for the NCBI-assisted hackathons run so far are that 1) data either must be housed in public data repositories or be deposited to such repositories shortly after the hackathon’s conclusion, and 2) all software comprising the final pipeline must be open-source or open-use.  Proposed topics, as well as suggested tools and approaches, are distributed to participants at the beginning of each hackathon and refined during the event.  Software, scripts, and pipelines are developed and published on GitHub, a web service providing publicly available, free-usage tiers for collaborative software development. The code resulting from each hackathon is published at https://github.com/NCBI-Hackathons/ with separate directories or repositories for each team. PMID:27134733

Inductor-Free Wireless Energy Delivery via Maxwell's Displacement Current from an Electrodeless Triboelectric Nanogenerator.

PubMed

Cao, Xia; Zhang, Meng; Huang, Jinrong; Jiang, Tao; Zou, Jingdian; Wang, Ning; Wang, Zhong Lin

2018-02-01

Wireless power delivery has been a dream technology for applications in medical science, security, radio frequency identification (RFID), and the internet of things, and is usually based on induction coils and/or antenna. Here, a new approach is demonstrated for wireless power delivery by using the Maxwell's displacement current generated by an electrodeless triboelectric nanogenerator (TENG) that directly harvests ambient mechanical energy. A rotary electrodeless TENG is fabricated using the contact and sliding mode with a segmented structure. Due to the leakage of electric field between the segments during relative rotation, the generated Maxwell's displacement current in free space is collected by metal collectors. At a gap distance of 3 cm, the output wireless current density and voltage can reach 7 µA cm -2 and 65 V, respectively. A larger rotary electrodeless TENG and flexible wearable electrodeless TENG are demonstrated to power light-emitting diodes (LEDs) through wireless energy delivery. This innovative discovery opens a new avenue for noncontact, wireless energy transmission for applications in portable and wearable electronics. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Diamond /111/ studied by electron energy loss spectroscopy in the characteristic loss region

NASA Technical Reports Server (NTRS)

Pepper, S. V.

1982-01-01

Unoccupied surface states on diamond (111) annealed at greater than 900 C are studied by electron energy loss spectroscopy with valence band excitation. A feature found at 2.1 eV loss energy is attributed to an excitation from occupied surface states into unoccupied surface states of energy within the bulk band gap. A surface band gap of approximately 1 eV is estimated. This result supports a previous suggestion for unoccupied band gap states based on core level energy loss spectroscopy. Using the valence band excitation energy loss spectrosocpy, it is also suggested that hydrogen is removed from the as-polished diamond surface by a Menzel-Gomer-Redhead mechanism.

Understanding band gaps of solids in generalized Kohn-Sham theory.

PubMed

Perdew, John P; Yang, Weitao; Burke, Kieron; Yang, Zenghui; Gross, Eberhard K U; Scheffler, Matthias; Scuseria, Gustavo E; Henderson, Thomas M; Zhang, Igor Ying; Ruzsinszky, Adrienn; Peng, Haowei; Sun, Jianwei; Trushin, Egor; Görling, Andreas

2017-03-14

The fundamental energy gap of a periodic solid distinguishes insulators from metals and characterizes low-energy single-electron excitations. However, the gap in the band structure of the exact multiplicative Kohn-Sham (KS) potential substantially underestimates the fundamental gap, a major limitation of KS density-functional theory. Here, we give a simple proof of a theorem: In generalized KS theory (GKS), the band gap of an extended system equals the fundamental gap for the approximate functional if the GKS potential operator is continuous and the density change is delocalized when an electron or hole is added. Our theorem explains how GKS band gaps from metageneralized gradient approximations (meta-GGAs) and hybrid functionals can be more realistic than those from GGAs or even from the exact KS potential. The theorem also follows from earlier work. The band edges in the GKS one-electron spectrum are also related to measurable energies. A linear chain of hydrogen molecules, solid aluminum arsenide, and solid argon provide numerical illustrations.

The strain induced band gap modulation from narrow gap semiconductor to half-metal on Ti{sub 2}CrGe: A first principles study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Jia, E-mail: jiali@hebut.edu.cn; Research Institute for Energy Equipment Materials, Hebei University of Technology, Tianjin 300401; Zhang, Zhidong

The Heusler alloy Ti{sub 2}CrGe is a stable L2{sub 1} phase with antiferromagnetic ordering. With band-gap energy (∼ 0.18 eV) obtained from a first-principles calculation, it belongs to the group of narrow band gap semiconductor. The band-gap energy decreases with increasing lattice compression and disappears until a strain of −5%; moreover, gap contraction only occurs in the spin-down states, leading to half-metallic character at the −5% strain. The Ti{sub 1}, Ti{sub 2}, and Cr moments all exhibit linear changes in behavior within strains of −5%– +5%. Nevertheless, the total zero moment is robust for these strains. The imaginary part ofmore » the dielectric function for both up and down spin states shows a clear onset energy, indicating a corresponding electronic gap for the two spin channels.« less

Understanding band gaps of solids in generalized Kohn–Sham theory

PubMed Central

Perdew, John P.; Yang, Weitao; Burke, Kieron; Yang, Zenghui; Gross, Eberhard K. U.; Scheffler, Matthias; Scuseria, Gustavo E.; Henderson, Thomas M.; Zhang, Igor Ying; Ruzsinszky, Adrienn; Peng, Haowei; Sun, Jianwei; Trushin, Egor; Görling, Andreas

2017-01-01

The fundamental energy gap of a periodic solid distinguishes insulators from metals and characterizes low-energy single-electron excitations. However, the gap in the band structure of the exact multiplicative Kohn–Sham (KS) potential substantially underestimates the fundamental gap, a major limitation of KS density-functional theory. Here, we give a simple proof of a theorem: In generalized KS theory (GKS), the band gap of an extended system equals the fundamental gap for the approximate functional if the GKS potential operator is continuous and the density change is delocalized when an electron or hole is added. Our theorem explains how GKS band gaps from metageneralized gradient approximations (meta-GGAs) and hybrid functionals can be more realistic than those from GGAs or even from the exact KS potential. The theorem also follows from earlier work. The band edges in the GKS one-electron spectrum are also related to measurable energies. A linear chain of hydrogen molecules, solid aluminum arsenide, and solid argon provide numerical illustrations. PMID:28265085

Mind the Gap on IceCube: Cosmic neutrino spectrum and muon anomalous magnetic moment

NASA Astrophysics Data System (ADS)

Araki, T.; Kaneko, F.; Konishi, Y.; Ota, T.; Sato, J.; Shimomura, T.

2017-09-01

The high energy cosmic neutrino spectrum reported by the IceCube collaboration shows a gap in the energy range between 500 TeV and 1 PeV. In this presentation, we illustrate that the IceCube gap is reproduced by the neutrino interaction mediated by the new gauge boson associated with a certain combination of the lepton avour number. The gauge interaction also explains the other long-standing gap in the lepton phenomenology: the gap between theory and experiment in the muon anomalous magnetic moment.

Development of a small prototype for a proof-of-concept of OpenPET imaging

NASA Astrophysics Data System (ADS)

Yamaya, Taiga; Yoshida, Eiji; Inaniwa, Taku; Sato, Shinji; Nakajima, Yasunori; Wakizaka, Hidekatsu; Kokuryo, Daisuke; Tsuji, Atsushi; Mitsuhashi, Takayuki; Kawai, Hideyuki; Tashima, Hideaki; Nishikido, Fumihiko; Inadama, Naoko; Murayama, Hideo; Haneishi, Hideaki; Suga, Mikio; Kinouchi, Shoko

2011-02-01

The OpenPET geometry is our new idea to visualize a physically opened space between two detector rings. In this paper, we developed the first small prototype to show a proof-of-concept of OpenPET imaging. Two detector rings of 110 mm diameter and 42 mm axial length were placed with a gap of 42 mm. The basic imaging performance was confirmed through phantom studies; the open imaging was realized at the cost of slight loss of axial resolution and 24% loss of sensitivity. For a proof-of-concept of PET image-guided radiation therapy, we carried out the in-beam tests with 11C radioactive beam irradiation in the heavy ion medical accelerator in Chiba to visualize in situ distribution of primary particles stopped in a phantom. We showed that PET images corresponding to dose distribution were obtained. For an initial proof-of-concept of real-time multimodal imaging, we measured a tumor-inoculated mouse with 18F-FDG, and an optical image of the mouse body surface was taken during the PET measurement by inserting a digital camera in the ring gap. We confirmed that the tumor in the gap was clearly visualized. The result also showed the extension effect of an axial field-of-view (FOV); a large axial FOV of 126 mm was obtained with the detectors that originally covered only an 84 mm axial FOV. In conclusion, our initial imaging studies showed promising performance of the OpenPET.

Minding the Gap: Synthetic Strategies for Tuning the Energy Gap in Conjugated Molecules

ERIC Educational Resources Information Center

Christensen, Dana; Cohn, Pamela G.

2016-01-01

While structure-property relationships are commonly developed in applications of physical organic chemistry to real-world problems at the graduate level, they have not been generally emphasized in the undergraduate chemistry curriculum. For instance, the ability to modify the energy gap between the highest occupied molecular orbital (HOMO) and the…

Engineering of band gap states of amorphous SiZnSnO semiconductor as a function of Si doping concentration.

PubMed

Choi, Jun Young; Heo, Keun; Cho, Kyung-Sang; Hwang, Sung Woo; Kim, Sangsig; Lee, Sang Yeol

2016-11-04

We investigated the band gap of SiZnSnO (SZTO) with different Si contents. Band gap engineering of SZTO is explained by the evolution of the electronic structure, such as changes in the band edge states and band gap. Using ultraviolet photoelectron spectroscopy (UPS), it was verified that Si atoms can modify the band gap of SZTO thin films. Carrier generation originating from oxygen vacancies can modify the band-gap states of oxide films with the addition of Si. Since it is not easy to directly derive changes in the band gap states of amorphous oxide semiconductors, no reports of the relationship between the Fermi energy level of oxide semiconductor and the device stability of oxide thin film transistors (TFTs) have been presented. The addition of Si can reduce the total density of trap states and change the band-gap properties. When 0.5 wt% Si was used to fabricate SZTO TFTs, they showed superior stability under negative bias temperature stress. We derived the band gap and Fermi energy level directly using data from UPS, Kelvin probe, and high-resolution electron energy loss spectroscopy analyses.

Engineering of band gap states of amorphous SiZnSnO semiconductor as a function of Si doping concentration

PubMed Central

Choi, Jun Young; Heo, Keun; Cho, Kyung-Sang; Hwang, Sung Woo; Kim, Sangsig; Lee, Sang Yeol

2016-01-01

We investigated the band gap of SiZnSnO (SZTO) with different Si contents. Band gap engineering of SZTO is explained by the evolution of the electronic structure, such as changes in the band edge states and band gap. Using ultraviolet photoelectron spectroscopy (UPS), it was verified that Si atoms can modify the band gap of SZTO thin films. Carrier generation originating from oxygen vacancies can modify the band-gap states of oxide films with the addition of Si. Since it is not easy to directly derive changes in the band gap states of amorphous oxide semiconductors, no reports of the relationship between the Fermi energy level of oxide semiconductor and the device stability of oxide thin film transistors (TFTs) have been presented. The addition of Si can reduce the total density of trap states and change the band-gap properties. When 0.5 wt% Si was used to fabricate SZTO TFTs, they showed superior stability under negative bias temperature stress. We derived the band gap and Fermi energy level directly using data from UPS, Kelvin probe, and high-resolution electron energy loss spectroscopy analyses. PMID:27812035

Plaquette order in a dimerized frustrated spin ladder

NASA Astrophysics Data System (ADS)

Shlagman, Ofer; Shimshoni, Efrat

2014-11-01

We study the effect of dimerization (due to, e.g., spin-Peierls instability) on the phase diagram of a frustrated antiferromagnetic spin-1/2 ladder, with weak transverse and diagonal rung coupling. Our analysis focuses on a one-dimensional version of the model (i.e., a single two-leg ladder) where we consider two forms of dimerization on the legs: columnar dimers (CDs) and staggered dimers (SDs). We examine in particular the regime of parameters (corresponding to an intermediate X X Z anisotropy) in which the leg dimerization and the rung coupling terms are equally relevant. In both the CD and SD cases, we find that the effective field theory describing the system is a self-dual sine-Gordon model, which favors ordering and the opening of a gap to excitations. The order parameter, which reflects the interplay between the leg and rung dimerization interactions, represents a crystal of 4-spin plaquettes on which longitudinal and transverse dimers are in a coherent superposition. Depending on the leg dimerization mode, these plaquettes are closed or open, however both types spontaneously break reflection symmetry across the ladder. The closed plaquettes are stable, while the open plaquette order is relatively fragile and the corresponding gap may be tuned to zero under extreme conditions. We further find that a first-order transition occurs from the plaquette order to a valence bond crystal (VBC) of dimers on the legs. This suggests that in a higher-dimensional version of this system, this variety of distinct VBC states with comparable energies leads to the formation of domains. Effectively one-dimensional gapless spinon modes on domain boundaries may account for the experimental observation of spin-liquid behavior in a physical realization of the model.

Development of Low Energy Gap and Fully Regioregular Polythienylenevinylene Derivative

DOE PAGES

David, Tanya M. S.; Zhang, Cheng; Sun, Sam-Shajing

2014-01-01

Low energy gap and fully regioregular conjugated polymers find its wide use in solar energy conversion applications. This paper will first briefly review this type of polymers and also report synthesis and characterization of a specific example new polymer, a low energy gap, fully regioregular, terminal functionalized, and processable conjugated polymer poly-(3-dodecyloxy-2,5-thienylene vinylene) or PDDTV. The polymer exhibited an optical energy gap of 1.46 eV based on the UV-vis-NIR absorption spectrum. The electrochemically measured highest occupied molecular orbital (HOMO) level is −4.79 eV, resulting in the lowest unoccupied molecular orbital (LUMO) level of −3.33 eV based on optical energy gap. The polymer wasmore » synthesized via Horner-Emmons condensation and is fairly soluble in common organic solvents such as tetrahydrofuran and chloroform with gentle heating. DSC showed two endothermic peaks at 67°C and 227°C that can be attributed to transitions between crystalline and liquid states. The polymer is thermally stable up to about 300°C. This polymer appears very promising for cost-effective solar cell applications.« less

Abundance of Green Tree Frogs and Insects in Artificial Canopy Gaps in a Bottomland Hardwood Forest.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Horn, Scott; Hanula, James, L.; Ulyshen, Michael D.

2005-04-01

ABSTRACT - We found more green tree frogs ( Hyla cinerea) n canopv gaps than in closed canopy forest. Of the 331 green tree frogs observed, 88% were in canopv gaps. Likewise, higher numbers and biomasses of insects were captured in the open gap habitat Flies were the most commonlv collected insect group accounting for 54% of the total capture. These data suggest that one reason green tree frogs were more abundant in canopy gaps was the increased availability of prey and that small canopy gaps provide early successional habitats that are beneficial to green tree frog populations.

The calculation of band gap energy in zinc oxide films

NASA Astrophysics Data System (ADS)

Arif, Ali; Belahssen, Okba; Gareh, Salim; Benramache, Said

2015-01-01

We investigated the optical properties of undoped zinc oxide thin films as the n-type semiconductor; the thin films were deposited at different precursor molarities by ultrasonic spray and spray pyrolysis techniques. The thin films were deposited at different substrate temperatures ranging between 200 and 500 °C. In this paper, we present a new approach to control the optical gap energy of ZnO thin films by concentration of the ZnO solution and substrate temperatures from experimental data, which were published in international journals. The model proposed to calculate the band gap energy with the Urbach energy was investigated. The relation between the experimental data and theoretical calculation suggests that the band gap energies are predominantly estimated by the Urbach energies, film transparency, and concentration of the ZnO solution and substrate temperatures. The measurements by these proposal models are in qualitative agreements with the experimental data; the correlation coefficient values were varied in the range 0.96-0.99999, indicating high quality representation of data based on Equation (2), so that the relative errors of all calculation are smaller than 4%. Thus, one can suppose that the undoped ZnO thin films are chemically purer and have many fewer defects and less disorder owing to an almost complete chemical decomposition and contained higher optical band gap energy.

Influences of Herbivory and Canopy Opening Size on Forest Regeneration in a Southern Bottomland Hardwood Forest

Treesearch

Steven B. Castleberry; W. Mark Ford; Carl V. Miller; Winston P. Smith

2000-01-01

We examined the effects of white-tailed deer (Odocoileus virginianus) browsing and canopy opening size on relative abundance and diversity of woody and herbaceous regeneration in various sized forest openings in a southern, bottomland hardwood forest over three growing seasons (1995-1997). We created 36 canopy openings (gaps), ranging from 7 to 40m...

ELECTRICAL PROTECTIVE DEVICE

DOEpatents

Baker, W.R.

1958-05-01

A protective system for high-energy resonant cavities is described. It is particularly directed to the discharging of resonant cavities for preventing energy back flow through associated equipment as a result of faults. The invention in general provides means defining a spark gap communicating with the interior of a cavity or waveguide adapted for high-power energization or an evacuated chamber containing an electrode having a large power differential from the wall or other electrode. A control or trigger circuit is connected between a power supply energizing the cavity and the spark gap whereby reverse current flow in the power supply circuit instantaneously triggers the spark gap to initiate discharge within the cavity, whereupon cavity energy discharges across the gap, or with an electrode present the electrode discharges to one of the spark gap elements.

Marcasite revisited: Optical absorption gap at room temperature

NASA Astrophysics Data System (ADS)

Sánchez, C.; Flores, E.; Barawi, M.; Clamagirand, J. M.; Ares, J. R.; Ferrer, I. J.

2016-03-01

Jagadeesh and Seehra published in 1980 that the marcasite band gap energy is 0.34 eV. However, recent calculations and experimental approximations accomplished by several research groups point out that the marcasite band gap energy should be quite similar to that of pyrite (of the order of 0.8-1.0 eV). By using diffuse reflectance spectroscopy (DRS) we have determined that marcasite has no optical absorption gap at photon energies 0.06 ≤ hν ≤ 0.75 eV and that it has two well defined optical transitions at ~ 0.9 eV and ~ 2.2 eV quite similar to those of pyrite. Marcasite optical absorption gap appears to be Eg ≅ 0.83 ± 0.02 eV and it is due to an allowed indirect transition.

Control of electronic transport in graphene by electromagnetic dressing

PubMed Central

Kristinsson, K.; Kibis, O. V.; Morina, S.; Shelykh, I. A.

2016-01-01

We demonstrated theoretically that the renormalization of the electron energy spectrum near the Dirac point of graphene by a strong high-frequency electromagnetic field (dressing field) drastically depends on polarization of the field. Namely, linear polarization results in an anisotropic gapless energy spectrum, whereas circular polarization leads to an isotropic gapped one. As a consequence, the stationary (dc) electronic transport in graphene strongly depends on parameters of the dressing field: A circularly polarized field monotonically decreases the isotropic conductivity of graphene, whereas a linearly polarized one results in both giant anisotropy of conductivity (which can reach thousands of percents) and the oscillating behavior of the conductivity as a function of the field intensity. Since the predicted phenomena can be observed in a graphene layer irradiated by a monochromatic electromagnetic wave, the elaborated theory opens a substantially new way to control electronic properties of graphene with light. PMID:26838371

Full 3D modelling of pulse propagation enables efficient nonlinear frequency conversion with low energy laser pulses in a single-element tripler.

PubMed

Kardaś, Tomasz M; Nejbauer, Michał; Wnuk, Paweł; Resan, Bojan; Radzewicz, Czesław; Wasylczyk, Piotr

2017-02-22

Although new optical materials continue to open up access to more and more wavelength bands where femtosecond laser pulses can be generated, light frequency conversion techniques are still indispensable in filling the gaps on the ultrafast spectral scale. With high repetition rate, low pulse energy laser sources (oscillators) tight focusing is necessary for a robust wave mixing and the efficiency of broadband nonlinear conversion is limited by diffraction as well as spatial and temporal walk-off. Here we demonstrate a miniature third harmonic generator (tripler) with conversion efficiency exceeding 30%, producing 246 fs UV pulses via cascaded second order processes within a single laser beam focus. Designing this highly efficient and ultra compact frequency converter was made possible by full 3-dimentional modelling of propagation of tightly focused, broadband light fields in nonlinear and birefringent media.

Full 3D modelling of pulse propagation enables efficient nonlinear frequency conversion with low energy laser pulses in a single-element tripler

NASA Astrophysics Data System (ADS)

Kardaś, Tomasz M.; Nejbauer, Michał; Wnuk, Paweł; Resan, Bojan; Radzewicz, Czesław; Wasylczyk, Piotr

2017-02-01

Although new optical materials continue to open up access to more and more wavelength bands where femtosecond laser pulses can be generated, light frequency conversion techniques are still indispensable in filling the gaps on the ultrafast spectral scale. With high repetition rate, low pulse energy laser sources (oscillators) tight focusing is necessary for a robust wave mixing and the efficiency of broadband nonlinear conversion is limited by diffraction as well as spatial and temporal walk-off. Here we demonstrate a miniature third harmonic generator (tripler) with conversion efficiency exceeding 30%, producing 246 fs UV pulses via cascaded second order processes within a single laser beam focus. Designing this highly efficient and ultra compact frequency converter was made possible by full 3-dimentional modelling of propagation of tightly focused, broadband light fields in nonlinear and birefringent media.

KSC-2013-2628

NASA Image and Video Library

2013-06-10

VANDENBERG AFB – Orbital Sciences engineers connect the payload fairing over NASA's IRIS spacecraft. The fairing connects to the nose of the Orbital Sciences Pegasus XL rocket that will lift the solar observatory into orbit in June. The work is taking place in a hangar at Vandenberg Air Force Base where IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch on a Pegasus XL rocket. Scheduled for launch from Vandenberg June 26, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: NASA/Tony Vauclin

KSC-2013-2490

NASA Image and Video Library

2013-05-29

VANDENBERG AFB, Calif. – Engineers unwrap NASA's IRIS spacecraft after its connection to the nose of an Orbital Sciences Pegasus XL rocket that will lift the solar observatory into orbit in June. The work is taking place in a hangar at Vandenberg Air Force Base where IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch on a Pegasus XL rocket. Scheduled for launch from Vandenberg no earlier than June 26, 2013, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: NASA/Randy Beaudoin

KSC-2013-2503

NASA Image and Video Library

2013-05-30

VANDENBERG AFB, Calif. – Engineers prepare to install a radial retraction system on NASA's IRIS spacecraft after its connection to the nose of an Orbital Sciences Pegasus XL rocket that will lift the solar observatory into orbit in June. The work is taking place in a hangar at Vandenberg Air Force Base where IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch on a Pegasus XL rocket. Scheduled for launch from Vandenberg June 26, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: NASA/Randy Beaudoin

KSC-2013-2601

NASA Image and Video Library

2013-06-10

VANDENBERG AFB, Calif. – Engineers conduct inspections on NASA's IRIS spacecraft with blacklights before the payload fairing before it is connected. The fairing connects to the nose of the Orbital Sciences Pegasus XL rocket that will lift the solar observatory into orbit in June. The work is taking place in a hangar at Vandenberg Air Force Base where IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch on a Pegasus XL rocket. Scheduled for launch from Vandenberg June 26, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: NASA/Randy Beaudoin

KSC-2013-2642

NASA Image and Video Library

2013-06-10

VANDENBERG AFB – Orbital Sciences team engineers monitor the connection of the payload fairing over NASA's IRIS spacecraft. The fairing connects to the nose of the Orbital Sciences Pegasus XL rocket that will lift the solar observatory into orbit in June. The work is taking place in a hangar at Vandenberg Air Force Base where IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch on a Pegasus XL rocket. Scheduled for launch from Vandenberg June 26, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: NASA/Tony Vauclin

KSC-2013-2640

NASA Image and Video Library

2013-06-10

VANDENBERG AFB – The payload fairing locked in place over NASA's IRIS spacecraft. The fairing connects to the nose of the Orbital Sciences Pegasus XL rocket that will lift the solar observatory into orbit in June. The work is taking place in a hangar at Vandenberg Air Force Base where IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch on a Pegasus XL rocket. Scheduled for launch from Vandenberg June 26, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: NASA/Tony Vauclin

KSC-2013-2618

NASA Image and Video Library

2013-06-10

VANDENBERG AFB – Orbital Sciences team members watch as engineers connect the payload fairing over NASA's IRIS spacecraft. The fairing connects to the nose of the Orbital Sciences Pegasus XL rocket that will lift the solar observatory into orbit in June. The work is taking place in a hangar at Vandenberg Air Force Base where IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch on a Pegasus XL rocket. Scheduled for launch from Vandenberg June 26, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: NASA/Tony Vauclin

KSC-2013-2613

NASA Image and Video Library

2013-06-10

VANDENBERG AFB – Engineers attach the starboard side of the payload fairing into place for NASA's IRIS spacecraft. The fairing connects to the nose of the Orbital Sciences Pegasus XL rocket that will lift the solar observatory into orbit in June. The work is taking place in a hangar at Vandenberg Air Force Base where IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch on a Pegasus XL rocket. Scheduled for launch from Vandenberg June 26, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: NASA/Randy Beaudoin

KSC-2013-2581

NASA Image and Video Library

2013-06-05

VANDENBERG AFB – Engineers move the port side of the payload fairing before it is connected into place for NASA's IRIS spacecraft. The fairing connects to the nose of the Orbital Sciences Pegasus XL rocket that will lift the solar observatory into orbit in June. The work is taking place in a hangar at Vandenberg Air Force Base where IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch on a Pegasus XL rocket. Scheduled for launch from Vandenberg June 26, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: NASA/Randy Beaudoin

KSC-2013-2477

NASA Image and Video Library

2013-05-29

VANDENBERG AFB, Calif. – Engineers prepare to connect NASA's IRIS spacecraft to the nose of an Orbital Sciences Pegasus XL rocket that will lift the solar observatory into orbit in June. The work is taking place in a hangar at Vandenberg Air Force Base where IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch on a Pegasus XL rocket. Scheduled for launch from Vandenberg no earlier than June 26, 2013, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: NASA/Randy Beaudoin

KSC-2013-2617

NASA Image and Video Library

2013-06-10

VANDENBERG AFB - Orbital Sciences engineers connect the payload fairing over NASA's IRIS spacecraft. The fairing connects to the nose of the Orbital Sciences Pegasus XL rocket that will lift the solar observatory into orbit in June. The work is taking place in a hangar at Vandenberg Air Force Base where IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch on a Pegasus XL rocket. Scheduled for launch from Vandenberg June 26, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: NASA/Tony Vauclin

KSC-2013-2636

NASA Image and Video Library

2013-06-10

VANDENBERG AFB – Orbital Sciences engineers connect the payload fairing over NASA's IRIS spacecraft. The fairing connects to the nose of the Orbital Sciences Pegasus XL rocket that will lift the solar observatory into orbit in June. The work is taking place in a hangar at Vandenberg Air Force Base where IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch on a Pegasus XL rocket. Scheduled for launch from Vandenberg June 26, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: NASA/Tony Vauclin

KSC-2013-2641

NASA Image and Video Library

2013-06-10

VANDENBERG AFB – Orbital Sciences engineers monitor the connection of the payload fairing over NASA's IRIS spacecraft. The fairing connects to the nose of the Orbital Sciences Pegasus XL rocket that will lift the solar observatory into orbit in June. The work is taking place in a hangar at Vandenberg Air Force Base where IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch on a Pegasus XL rocket. Scheduled for launch from Vandenberg June 26, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: NASA/Tony Vauclin

KSC-2013-2619

NASA Image and Video Library

2013-06-10

VANDENBERG AFB – NASA's IRIS spacecraft before the second half of the payload fairing is installed over it. The fairing connects to the nose of the Orbital Sciences Pegasus XL rocket that will lift the solar observatory into orbit in June. The work is taking place in a hangar at Vandenberg Air Force Base where IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch on a Pegasus XL rocket. Scheduled for launch from Vandenberg June 26, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: NASA/Tony Vauclin

KSC-2013-2480

NASA Image and Video Library

2013-05-29

VANDENBERG AFB, Calif. – Engineers prepare to connect NASA's IRIS spacecraft to the nose of an Orbital Sciences Pegasus XL rocket that will lift the solar observatory into orbit in June. The work is taking place in a hangar at Vandenberg Air Force Base where IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch on a Pegasus XL rocket. Scheduled for launch from Vandenberg no earlier than June 26, 2013, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: NASA/Randy Beaudoin

KSC-2013-2635

NASA Image and Video Library

2013-06-10

VANDENBERG AFB – Orbital Sciences engineers connect the payload fairing over NASA's IRIS spacecraft. The fairing connects to the nose of the Orbital Sciences Pegasus XL rocket that will lift the solar observatory into orbit in June. The work is taking place in a hangar at Vandenberg Air Force Base where IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch on a Pegasus XL rocket. Scheduled for launch from Vandenberg June 26, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: NASA/Tony Vauclin

KSC-2013-2481

NASA Image and Video Library

2013-05-29

VANDENBERG AFB, Calif. – Engineers prepare to connect NASA's IRIS spacecraft to the nose of an Orbital Sciences Pegasus XL rocket that will lift the solar observatory into orbit in June. The work is taking place in a hangar at Vandenberg Air Force Base where IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch on a Pegasus XL rocket. Scheduled for launch from Vandenberg no earlier than June 26, 2013, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: NASA/Randy Beaudoin

KSC-2013-2633

NASA Image and Video Library

2013-06-10

VANDENBERG AFB – Orbital Sciences team members move the second half of the payload fairing before it is placed over NASA's IRIS spacecraft. The fairing connects to the nose of the Orbital Sciences Pegasus XL rocket that will lift the solar observatory into orbit in June. The work is taking place in a hangar at Vandenberg Air Force Base where IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch on a Pegasus XL rocket. Scheduled for launch from Vandenberg June 26, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: NASA/Tony Vauclin

KSC-2013-2489

NASA Image and Video Library

2013-05-29

VANDENBERG AFB, Calif. – Engineers unwrap NASA's IRIS spacecraft after its connection to the nose of an Orbital Sciences Pegasus XL rocket that will lift the solar observatory into orbit in June. The work is taking place in a hangar at Vandenberg Air Force Base where IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch on a Pegasus XL rocket. Scheduled for launch from Vandenberg no earlier than June 26, 2013, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: NASA/Randy Beaudoin

KSC-2013-2639

NASA Image and Video Library

2013-06-10

VANDENBERG AFB – Orbital Sciences engineers connect the payload fairing over NASA's IRIS spacecraft. The fairing connects to the nose of the Orbital Sciences Pegasus XL rocket that will lift the solar observatory into orbit in June. The work is taking place in a hangar at Vandenberg Air Force Base where IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch on a Pegasus XL rocket. Scheduled for launch from Vandenberg June 26, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: NASA/Tony Vauclin

KSC-2013-2504

NASA Image and Video Library

2013-05-30

VANDENBERG AFB, Calif. – Engineers install a radial retraction system on NASA's IRIS spacecraft after its connection to the nose of an Orbital Sciences Pegasus XL rocket that will lift the solar observatory into orbit in June. The work is taking place in a hangar at Vandenberg Air Force Base where IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch on a Pegasus XL rocket. Scheduled for launch from Vandenberg June 26, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: NASA/Randy Beaudoin

KSC-2013-2637

NASA Image and Video Library

2013-06-10

VANDENBERG AFB – Orbital Sciences engineers connect the payload fairing over NASA's IRIS spacecraft. The fairing connects to the nose of the Orbital Sciences Pegasus XL rocket that will lift the solar observatory into orbit in June. The work is taking place in a hangar at Vandenberg Air Force Base where IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch on a Pegasus XL rocket. Scheduled for launch from Vandenberg June 26, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: NASA/Tony Vauclin

KSC-2013-2630

NASA Image and Video Library

2013-06-10

VANDENBERG AFB – Orbital Sciences team members move the second half of the payload fairing before it is placed over NASA's IRIS spacecraft. The fairing connects to the nose of the Orbital Sciences Pegasus XL rocket that will lift the solar observatory into orbit in June. The work is taking place in a hangar at Vandenberg Air Force Base where IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch on a Pegasus XL rocket. Scheduled for launch from Vandenberg June 26, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: NASA/Tony Vauclin

KSC-2013-2602

NASA Image and Video Library

2013-06-10

VANDENBERG AFB, Calif. – Engineers conduct inspections on NASA's IRIS spacecraft with blacklights before the payload fairing before it is connected. The fairing connects to the nose of the Orbital Sciences Pegasus XL rocket that will lift the solar observatory into orbit in June. The work is taking place in a hangar at Vandenberg Air Force Base where IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch on a Pegasus XL rocket. Scheduled for launch from Vandenberg June 26, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: NASA/Randy Beaudoin

KSC-2013-2580

NASA Image and Video Library

2013-06-05

- VANDENBERG AFB – An engineer makes preparations on the starboard side of the payload fairing before it is connected into place for NASA's IRIS spacecraft. The fairing connects to the nose of the Orbital Sciences Pegasus XL rocket that will lift the solar observatory into orbit in June. The work is taking place in a hangar at Vandenberg Air Force Base where IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch on a Pegasus XL rocket. Scheduled for launch from Vandenberg June 26, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: NASA/Randy Beaudoin

KSC-2013-2626

NASA Image and Video Library

2013-06-10

VANDENBERG AFB – Orbital Sciences team members move the second half of the payload fairing before it is placed over NASA's IRIS spacecraft. The fairing connects to the nose of the Orbital Sciences Pegasus XL rocket that will lift the solar observatory into orbit in June. The work is taking place in a hangar at Vandenberg Air Force Base where IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch on a Pegasus XL rocket. Scheduled for launch from Vandenberg June 26, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: NASA/Tony Vauclin

KSC-2013-2616

NASA Image and Video Library

2013-06-11

Orbital Sciences engineers connect the payload fairing over NASA's IRIS spacecraft. The fairing connects to the nose of the Orbital Sciences Pegasus XL rocket that will lift the solar observatory into orbit in June. The work is taking place in a hangar at Vandenberg Air Force Base where IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch on a Pegasus XL rocket. Scheduled for launch from Vandenberg June 26, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: NASA/Tony Vauclin

KSC-2013-2482

NASA Image and Video Library

2013-05-29

VANDENBERG AFB, Calif. – Engineers prepare to connect NASA's IRIS spacecraft to the nose of an Orbital Sciences Pegasus XL rocket that will lift the solar observatory into orbit in June. The work is taking place in a hangar at Vandenberg Air Force Base where IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch on a Pegasus XL rocket. Scheduled for launch from Vandenberg no earlier than June 26, 2013, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: NASA/Randy Beaudoin

KSC-2013-2629

NASA Image and Video Library

2013-06-10

VANDENBERG AFB – Orbital Sciences team members move the second half of the payload fairing before it is placed over NASA's IRIS spacecraft. The fairing connects to the nose of the Orbital Sciences Pegasus XL rocket that will lift the solar observatory into orbit in June. The work is taking place in a hangar at Vandenberg Air Force Base where IRIS, short for Interface Region Imaging Spectrograph, is being prepared for launch on a Pegasus XL rocket. Scheduled for launch from Vandenberg June 26, IRIS will open a new window of discovery by tracing the flow of energy and plasma through the chromospheres and transition region into the sun’s corona using spectrometry and imaging. IRIS fills a crucial gap in our ability to advance studies of the sun-to-Earth connection by tracing the flow of energy and plasma through the foundation of the corona and the region around the sun known as the heliosphere. Photo credit: NASA/Tony Vauclin

Random-Phase Approximation Methods

NASA Astrophysics Data System (ADS)

Chen, Guo P.; Voora, Vamsee K.; Agee, Matthew M.; Balasubramani, Sree Ganesh; Furche, Filipp

2017-05-01

Random-phase approximation (RPA) methods are rapidly emerging as cost-effective validation tools for semilocal density functional computations. We present the theoretical background of RPA in an intuitive rather than formal fashion, focusing on the physical picture of screening and simple diagrammatic analysis. A new decomposition of the RPA correlation energy into plasmonic modes leads to an appealing visualization of electron correlation in terms of charge density fluctuations. Recent developments in the areas of beyond-RPA methods, RPA correlation potentials, and efficient algorithms for RPA energy and property calculations are reviewed. The ability of RPA to approximately capture static correlation in molecules is quantified by an analysis of RPA natural occupation numbers. We illustrate the use of RPA methods in applications to small-gap systems such as open-shell d- and f-element compounds, radicals, and weakly bound complexes, where semilocal density functional results exhibit strong functional dependence.

Control of electronic transport in graphene by electromagnetic dressing.

PubMed

Kristinsson, K; Kibis, O V; Morina, S; Shelykh, I A

2016-02-03

We demonstrated theoretically that the renormalization of the electron energy spectrum near the Dirac point of graphene by a strong high-frequency electromagnetic field (dressing field) drastically depends on polarization of the field. Namely, linear polarization results in an anisotropic gapless energy spectrum, whereas circular polarization leads to an isotropic gapped one. As a consequence, the stationary (dc) electronic transport in graphene strongly depends on parameters of the dressing field: A circularly polarized field monotonically decreases the isotropic conductivity of graphene, whereas a linearly polarized one results in both giant anisotropy of conductivity (which can reach thousands of percents) and the oscillating behavior of the conductivity as a function of the field intensity. Since the predicted phenomena can be observed in a graphene layer irradiated by a monochromatic electromagnetic wave, the elaborated theory opens a substantially new way to control electronic properties of graphene with light.

Density functional theory calculations for armchair stanene nanoribbons with fluorine and sulfur functionalization

NASA Astrophysics Data System (ADS)

Zhang, J.; Lang, X. Y.; Jiang, Q.

2018-07-01

A systematic density functional theory calculation has been carried out to study the effect of edge terminating of F and S elements with different edge natures on the structure and electronic properties of armchair stanene nanoribbons (ASnNRs). Moreover, the corresponding size (ribbon width Na) dependence on these properties is also considered. The energy gap was found to be oscillated as a function of Na and could be classified into three distinct groups of 3m, 3m + 1 and 3m + 2. In addition, the energy gaps of ASnNRs saturated by S atoms differ from that did by F and H atoms in vibration trends as well VBM and CBM changes, where the energy gap is a direct energy gap with a moderate size.

Determination of the optical band-gap energy of cubic and hexagonal boron nitride using luminescence excitation spectroscopy

NASA Astrophysics Data System (ADS)

Evans, D. A.; McGlynn, A. G.; Towlson, B. M.; Gunn, M.; Jones, D.; Jenkins, T. E.; Winter, R.; Poolton, N. R. J.

2008-02-01

Using synchrotron-based luminescence excitation spectroscopy in the energy range 4-20 eV at 8 K, the indirect Γ-X optical band-gap transition in cubic boron nitride is determined as 6.36 ± 0.03 eV, and the quasi-direct band-gap energy of hexagonal boron nitride is determined as 5.96 ± 0.04 eV. The composition and structure of the materials are self-consistently established by optically detected x-ray absorption spectroscopy, and both x-ray diffraction and Raman measurements on the same samples give independent confirmation of their chemical and structural purity: together, the results are therefore considered as providing definitive measurements of the optical band-gap energies of the two materials.

Energy-gap reduction in heavily doped silicon: Causes and consequences

NASA Astrophysics Data System (ADS)

Pantelides, Sokrates T.; Selloni, Annabella; Car, Roberto

1985-02-01

The authors review briefly the existing theoretical treatments of the various effects that contribute to the reduction of the energy gap in heavily doped Si, namely electron-electron and electron-impurity interactions and the effect of disorder in the impurity distribution. They then turn to the longstanding question why energy-gap reductions extracted from three different types of experiments have persistently produced values with substantial discrepancies, making it impossible to compare with theoretical values. First, they demonstrate that a meaningful comparison between theory and experiment can indeed be made if theoretical calculations are carried out for actual quantities that experiments measure, e.g. luminescence spectra, as recently done by Selloni and Pantelides. Then, they demonstrate that, independent of any theoretical calculations, the optical absorption spectra are fully consistent with the luminescence spectra and that the discrepancies in the energy-gap reductions extracted from the two sets of spectra are caused entirely by the curve-fitting procedures used in analyzing optical-absorption data. Finally, they show explicitly that, as already believed by many authors, energy-gap reductions extracted from electrical measurements on transistors do not correspond to true gap reductions. They identify two corrections that must be added to the values extracted from the electrical data in order to arrive at the true gap reductions and show that the resulting values are in good overall agreement with luminescence and absorption data. They, therefore, demonstrate that the observed reduction in emitter injection efficiency in bipolar transistors is not strictly due to a gap reduction, as generally believed, but to three very different effects.

Negative space charge effects in photon-enhanced thermionic emission solar converters

DOE Office of Scientific and Technical Information (OSTI.GOV)

Segev, G.; Weisman, D.; Rosenwaks, Y.

2015-07-06

In thermionic energy converters, electrons in the gap between electrodes form a negative space charge and inhibit the emission of additional electrons, causing a significant reduction in conversion efficiency. However, in Photon Enhanced Thermionic Emission (PETE) solar energy converters, electrons that are reflected by the electric field in the gap return to the cathode with energy above the conduction band minimum. These electrons first occupy the conduction band from which they can be reemitted. This form of electron recycling makes PETE converters less susceptible to negative space charge loss. While the negative space charge effect was studied extensively in thermionicmore » converters, modeling its effect in PETE converters does not account for important issues such as this form of electron recycling, nor the cathode thermal energy balance. Here, we investigate the space charge effect in PETE solar converters accounting for electron recycling, with full coupling of the cathode and gap models, and addressing conservation of both electric and thermal energy. The analysis shows that the negative space charge loss is lower than previously reported, allowing somewhat larger gaps compared to previous predictions. For a converter with a specific gap, there is an optimal solar flux concentration. The optimal solar flux concentration, the cathode temperature, and the efficiency all increase with smaller gaps. For example, for a gap of 3 μm the maximum efficiency is 38% and the optimal flux concentration is 628, while for a gap of 5 μm the maximum efficiency is 31% and optimal flux concentration is 163.« less

Spatial heterogeneity in post-dispersal predation on Prunus and Uvularia seeds.

PubMed

Webb, Sara L; Willson, Mary F

1985-08-01

We investigated effects of seed density, distance from parent, and habitat (woods, open field) on post-dispersal predation risk (chiefly by rodents) for seeds of Prunus virginiana (Rosaceae). Additional study of the habitat effect (woods, open field, treefall gap) was made with seeds of Prunus avium (Rosaceae) and Uvularia grandiflora (Liliaceae). Density of Prunus seeds (range 2-40 seeds/group) did not affect predation risk for individual seeds. Distance from parent plants did influence predation risk, which was greatest directly beneath parents. This distance effect primarily comprised a sharp drop in risk within 2 m of parents, a distance too small to generate a "spacing rule" for conspecifics.We found that habitat strongly influenced predation intensity. Rates of removal of Prunus seeds were higher in woods than in open fields, except when overall predation intensity was very low and no pattern could be discerned. Prunus seed removal rates were higher in closed woods than in treefall gaps. Consequently, a Prunus seed will more likely escape predation if dispersed to an open site. In contrast, Uvularia seed removal rates were higher in open fields than in woods but did not differ between closed woods and tree-fall gaps.Predation intensity was spatially patchy between and within experimental arrays, but was consistent over time at some specific points in space, possibly reflecting home ranges of seed predators.

Valley polarization in silicene induced by circularly-polarized resonance light

NASA Astrophysics Data System (ADS)

Cao, Jie; Qi, Fenghua

2017-06-01

In the presence of circularly-polarized resonance light, silicene develops dynamical band gaps in its quasi-energy band structure. Using numerical calculations, our results show that the gap appearing at ħω/2, where ħω is the photon energy. More importantly, we find that these gaps are non-symmetric for two inequivalent valleys. Therefore we can introduce light-controlled valley polarization in these dynamical band gaps. Different valleytronic devices can be realized using this technique.

Graphene-diamond interface: Gap opening and electronic spin injection

NASA Astrophysics Data System (ADS)

Ma, Yandong; Dai, Ying; Guo, Meng; Huang, Baibiao

2012-06-01

Creating a finite band gap, injecting electronic spin, and finding a suitable substrate are the three important challenges for building graphene-based devices. Here, first-principles calculations are performed to investigate the electronic and magnetic properties of graphene adsorbed on the (111) surface of diamond, which is synthesized experimentally [Nature10.1038/nature09979 472, 74 (2011); J. Appl. Phys.10.1063/1.3627370 110, 044324 (2011); Nano Lett.10.1021/nl204545q 12, 1603 (2012); ACS Nano10.1021/nn204362p 6, 1018 (2012)]. Our results reveal that the graphene adsorbed on the diamond surface is a semiconductor with a finite gap depending on the adsorption arrangements due to the variation of on-site energy induced by the diamond surface, with the extra advantage of maintaining main characters of the linear band dispersion of graphene. More interestingly, different from typical graphene/semiconductor hybrid systems, we find that electronic spin can arise ``intrinsically'' in graphene owing to the exchange proximity interaction between electrons in graphene and localized electrons in the diamond surface rather than the characteristic graphene states. These predications strongly revive this new synthesized system as a viable candidate to overcome all the aforementioned challenges, providing an ideal platform for future graphene-based electronics.

Exploring possibilities of band gap measurement with off-axis EELS in TEM.

PubMed

Korneychuk, Svetlana; Partoens, Bart; Guzzinati, Giulio; Ramaneti, Rajesh; Derluyn, Joff; Haenen, Ken; Verbeeck, Jo

2018-06-01

A technique to measure the band gap of dielectric materials with high refractive index by means of energy electron loss spectroscopy (EELS) is presented. The technique relies on the use of a circular (Bessel) aperture and suppresses Cherenkov losses and surface-guided light modes by enforcing a momentum transfer selection. The technique also strongly suppresses the elastic zero loss peak, making the acquisition, interpretation and signal to noise ratio of low loss spectra considerably better, especially for excitations in the first few eV of the EELS spectrum. Simulations of the low loss inelastic electron scattering probabilities demonstrate the beneficial influence of the Bessel aperture in this setup even for high accelerating voltages. The importance of selecting the optimal experimental convergence and collection angles is highlighted. The effect of the created off-axis acquisition conditions on the selection of the transitions from valence to conduction bands is discussed in detail on a simplified isotropic two band model. This opens the opportunity for deliberately selecting certain transitions by carefully tuning the microscope parameters. The suggested approach is experimentally demonstrated and provides good signal to noise ratio and interpretable band gap signals on reference samples of diamond, GaN and AlN while offering spatial resolution in the nm range. Copyright © 2018 Elsevier B.V. All rights reserved.

Tuning the Electronic and Optical Properties of Two-Dimensional Graphene-like C_2N Nanosheet by Strain Engineering

NASA Astrophysics Data System (ADS)

Phuc, Huynh V.; Tuan, Vu V.; Hieu, Nguyen N.; Ilyasov, Victor V.; Fedorov, Igor A.; Hoi, Bui D.; Phuong, Le T. T.; Hieu, Nguyen V.; Feddi, Elmustapha; Nguyen, Chuong V.

2018-05-01

Using density functional theory, we have studied the structural, electronic and optical properties of two-dimensional graphene-like C_2N nanosheet under in-plane strains. Our results indicate that the C_2N nanosheet is a semiconductor with a direct band gap of 1.70 eV at the equilibrium state opening between the highest valence band and lowest conduction band located at the Γ point. The band gap of the C_2N nanosheet decreases with the increasing of both uniaxial/biaxial strains. In the presence of the strain, we found band shift and band splitting of the occupied and unoccupied energy states of the valence and conduction bands, resulting in a decrease of the band gap. Furthermore, the absorption and reflectance spectra for the C_2N nanosheet have a broad peak around 2.6 eV, where a maximum absorption value is up to 3.2 × 10^{-5} cm^{-1} and reflectance is about 0.27%. Moreover, our calculations also show that the optical properties of the C_2N nanosheets can be controlled by applying the biaxial and uniaxial strains. The obtained results might provide potential applications for the C_2N nanosheets in nanoelectronics and optoelectronics.

Homeostatic Plasticity Mediated by Rod-Cone Gap Junction Coupling in Retinal Degenerative Dystrophic RCS Rats

PubMed Central

Hou, Baoke; Fu, Yan; Weng, Chuanhuang; Liu, Weiping; Zhao, Congjian; Yin, Zheng Qin

2017-01-01

Rod-cone gap junctions open at night to allow rod signals to pass to cones and activate the cone-bipolar pathway. This enhances the ability to detect large, dim objects at night. This electrical synaptic switch is governed by the circadian clock and represents a novel form of homeostatic plasticity that regulates retinal excitability according to network activity. We used tracer labeling and ERG recording in the retinae of control and retinal degenerative dystrophic RCS rats. We found that in the control animals, rod-cone gap junction coupling was regulated by the circadian clock via the modulation of the phosphorylation of the melatonin synthetic enzyme arylalkylamine N-acetyltransferase (AANAT). However, in dystrophic RCS rats, AANAT was constitutively phosphorylated, causing rod-cone gap junctions to remain open. A further b/a-wave ratio analysis revealed that dystrophic RCS rats had stronger synaptic strength between photoreceptors and bipolar cells, possibly because rod-cone gap junctions remained open. This was despite the fact that a decrease was observed in the amplitude of both a- and b-waves as a result of the progressive loss of rods during early degenerative stages. These results suggest that electric synaptic strength is increased during the day to allow cone signals to pass to the remaining rods and to be propagated to rod bipolar cells, thereby partially compensating for the weak visual input caused by the loss of rods. PMID:28473754

Current interruption in inductive storage systems with inertial current source

NASA Astrophysics Data System (ADS)

Vitkovitsky, I. M.; Conte, D.; Ford, R. D.; Lupton, W. H.

1980-03-01

Utilization of inertial current source inductive storage with high power output requires a switch with short opening time. This switch must operate as a circuit breaker, i.e., be capable to carry the current for a time period characteristic of inertial systems, such as homopolar generators. For reasonable efficiency, its opening time must be fast to minimize the energy dissipated in downstream fuse stages required for any additional pulse compression. A switch that satisfies these criteria, as well as other requirements such as that for high voltage operation associated with high power output, is an explosively driven switch consisting of large number of gaps arranged in series. The performance of this switch in limiting and/or interrupting currents produced by large generators has been studied. Single switch modules were designed and tested for limiting the commutating current output of 1 MW, 60 Hz, generator and 500 KJ capacitor banks. Current limiting and commutation were evaluated, using these sources, for currents ranging up to 0.4 MA. The explosive opening of the switch was found to provide an effective first stage for further pulse compression. It opens in tens of microseconds, commutates current at high efficiency ( = 905) recovers very rapidly over a wide range of operating conditions.

Exponential vanishing of the ground-state gap of the quantum random energy model via adiabatic quantum computing

NASA Astrophysics Data System (ADS)

Adame, J.; Warzel, S.

2015-11-01

In this note, we use ideas of Farhi et al. [Int. J. Quantum. Inf. 6, 503 (2008) and Quantum Inf. Comput. 11, 840 (2011)] who link a lower bound on the run time of their quantum adiabatic search algorithm to an upper bound on the energy gap above the ground-state of the generators of this algorithm. We apply these ideas to the quantum random energy model (QREM). Our main result is a simple proof of the conjectured exponential vanishing of the energy gap of the QREM.

Exponential vanishing of the ground-state gap of the quantum random energy model via adiabatic quantum computing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Adame, J.; Warzel, S., E-mail: warzel@ma.tum.de

In this note, we use ideas of Farhi et al. [Int. J. Quantum. Inf. 6, 503 (2008) and Quantum Inf. Comput. 11, 840 (2011)] who link a lower bound on the run time of their quantum adiabatic search algorithm to an upper bound on the energy gap above the ground-state of the generators of this algorithm. We apply these ideas to the quantum random energy model (QREM). Our main result is a simple proof of the conjectured exponential vanishing of the energy gap of the QREM.

Power Watch - A global, open database of power plants that supports research on climate, water and air pollution impact of the global power sector.

NASA Astrophysics Data System (ADS)

Friedrich, J.; Kressig, A.; Van Groenou, S.; McCormick, C.

2017-12-01

Challenge The lack of transparent, accessible, and centralized power sector data inhibits the ability to research the impact of the global power sector. information gaps for citizens, analysts, and decision makers worldwide create barriers to sustainable development efforts. The need for transparent, accessible, and centralized information is especially important to enhance the commitments outlined in the recently adopted Paris Agreement and Sustainable Development Goals. Offer Power Watch will address this challenge by creating a comprehensive, open-source platform on the world's power systems. The platform hosts data on 85% of global installed electrical capacity and for each power plant will include data points on installed capacity, fuel type, annual generation, commissioning year, with more characteristics like emissions, particulate matter, annual water demand and more added over time. Most of the data is reported from national level sources, but annual generation and other operational characteristiscs are estimated via Machine Learning modeling and remotely sensed data when not officially reported. In addition, Power Watch plans to provide a suite of tools that address specific decision maker needs, such as water risk assessments and air pollution modeling. Impact Through open data, the platform and its tools will allow reserachers to do more analysis of power sector impacts and perform energy modeling. It will help catalyze accountability for policy makers, businesses, and investors and will inform and drive the transition to a clean energy future while reaching development targets.

Quantum defect theory for the orbital Feshbach resonance

NASA Astrophysics Data System (ADS)

Cheng, Yanting; Zhang, Ren; Zhang, Peng

2017-01-01

In the ultracold gases of alkali-earth-metal-like atoms, a new type of Feshbach resonance, i.e., the orbital Feshbach resonance (OFR), has been proposed and experimentally observed in ultracold 173Yb atoms [R. Zhang et al., Phys. Rev. Lett. 115, 135301 (2015), 10.1103/PhysRevLett.115.135301]. When the OFR of the 173Yb atoms occurs, the energy gap between the open and closed channels is smaller by two orders of magnitude than the van der Waals energy. As a result, quantitative accurate results for the low-energy two-body problems can be obtained via multichannel quantum defect theory (MQDT), which is based on the exact solution of the Schrödinger equation with the van der Waals potential. In this paper we use MQDT to calculate the two-atom scattering length, effective range, and binding energy of two-body bound states for the systems with OFR. With these results we further study the clock-transition spectrum for the two-body bound states, which can be used to experimentally measure the binding energy. Our results are helpful for the quantitative theoretical and experimental research for the ultracold gases of alkali-earth-metal-like atoms with OFR.

Electrical, Optical and Structural Studies of INAS/INGASB VLWIR Superlattices

DTIC Science & Technology

2013-01-01

period measured by x-ray diffraction and the optical band gap energy determined by the photoresponse spectra. Sample InAs (Å) GaSb (Å) In (%) IF (Å...8x8 EFA. 22 Temperature-dependent lattice constants, band gap energies , and other physical data for InAs and GaSb are taken from Vurgaftman et al...gallium antimonide to achieve energy band gaps less than 50 meV with a superlattice period on the order of 68 Å. Similar to the work reported on

Torsional wave band gap properties in a circular plate of a two-dimensional generalized phononic crystal

NASA Astrophysics Data System (ADS)

Zhao, Lei; Shu, Haisheng; Liang, Shanjun; Shi, Xiaona; An, Shuowei; Ren, Wanyue; Zhu, Jie

2018-05-01

The torsional wave band gap properties of a two-dimensional generalized phononic crystal (GPC) are investigated in this paper. The GPC structure considered is consisted of two different materials being arranged with radial and circumferential periodicities simultaneously. Based on the viewpoint of energy distribution and the finite element method, the power flow, energy density, sound intensity vector together with the stress field of the structure excited by torsional load are numerically calculated and discussed. Our results show that, the band gap of Bragg type exists in these two-dimensional composite structures, and the band gap range is mainly determined by radial periodicity while the circumferential periodicity would result in some transmission peaks within the band gap. These peaks are mainly produced by two different mechanisms, the energy leakage occurred in circumferential channels and the excitation of the local eigenmodes of certain scatterers. These results may be useful in torsional vibration control for various rotational parts and components, and in the application of energy harvesting, etc.

Energy gap in graphene nanoribbons with structured external electric potentials

NASA Astrophysics Data System (ADS)

Apel, W.; Pal, G.; Schweitzer, L.

2011-03-01

The electronic properties of graphene zigzag nanoribbons with electrostatic potentials along the edges are investigated. Using the Dirac-fermion approach, we calculate the energy spectrum of an infinitely long nanoribbon of finite width w, terminated by Dirichlet boundary conditions in the transverse direction. We show that a structured external potential that acts within the edge regions of the ribbon can induce a spectral gap and thus switch the nanoribbon from metallic to insulating behavior. The basic mechanism of this effect is the selective influence of the external potentials on the spinorial wave functions that are topological in nature and localized along the boundary of the graphene nanoribbon. Within this single-particle description, the maximal obtainable energy gap is Emax∝πℏvF/w, i.e., ≈0.12 eV for w=15 nm. The stability of the spectral gap against edge disorder and the effect of disorder on the two-terminal conductance is studied numerically within a tight-binding lattice model. We find that the energy gap persists as long as the applied external effective potential is larger than ≃0.55×W, where W is a measure of the disorder strength. We argue that there is a transport gap due to localization effects even in the absence of a spectral gap.

Energy Impacts of Wide Band Gap Semiconductors in U.S. Light-Duty Electric Vehicle Fleet.

PubMed

Warren, Joshua A; Riddle, Matthew E; Graziano, Diane J; Das, Sujit; Upadhyayula, Venkata K K; Masanet, Eric; Cresko, Joe

2015-09-01

Silicon carbide and gallium nitride, two leading wide band gap semiconductors with significant potential in electric vehicle power electronics, are examined from a life cycle energy perspective and compared with incumbent silicon in U.S. light-duty electric vehicle fleet. Cradle-to-gate, silicon carbide is estimated to require more than twice the energy as silicon. However, the magnitude of vehicle use phase fuel savings potential is comparatively several orders of magnitude higher than the marginal increase in cradle-to-gate energy. Gallium nitride cradle-to-gate energy requirements are estimated to be similar to silicon, with use phase savings potential similar to or exceeding that of silicon carbide. Potential energy reductions in the United States vehicle fleet are examined through several scenarios that consider the market adoption potential of electric vehicles themselves, as well as the market adoption potential of wide band gap semiconductors in electric vehicles. For the 2015-2050 time frame, cumulative energy savings associated with the deployment of wide band gap semiconductors are estimated to range from 2-20 billion GJ depending on market adoption dynamics.

The Evolution of Medical Training Simulation in the U.S. Military.

PubMed

Linde, Amber S; Kunkler, Kevin

2016-01-01

The United States has been at war since 2003. During that time, training using Medical Simulation technology has been developed and integrated into military medical training for combat medics, nurses and surgeons. Efforts stemming from the Joint Programmatic Committee-1 (JPC-1) Medical Simulation and Training Portfolio has allowed for the improvement and advancement in military medical training by focusing on research in simulation training technology in order to achieve this. Based upon lessons learned capability gaps have been identified concerning the necessity to validate and enhance combat medial training simulators. These capability gaps include 1) Open Source/Open Architecture; 2) Modularity and Interoperability; and 3) Material and Virtual Reality (VR) Models. Using the capability gaps, JPC-1 has identified important research endeavors that need to be explored.

Annular arc accelerator shock tube

NASA Technical Reports Server (NTRS)

Leibowitz, L. P. (Inventor)

1976-01-01

An annular arc accelerator shock tube employs a cold gas driver to flow a stream of gas from an expansion section through a high voltage electrode section to a test section, thus driving a shock wave in front of it. A glow discharge detects the shock wave and actuates a trigger generator which in turn fires spark-gap switches to discharge a bank of capacitors across a centered cathode and an annular anode in tandem electrode sections. The initial shock wave passes through the anode section from the cathode section thereby depositing energy into the flow gas without the necessity of any diaphragm opening in the gas flow from the expansion section through the electrode sections.

Large bipolarons and oxide superconductivity

NASA Astrophysics Data System (ADS)

Emin, David

2017-02-01

Large-bipolaron superconductivity is plausible with carrier densities well below those of conventional metals. Bipolarons form when carriers self-trap in pairs. Coherently moving large-bipolarons require extremely large ratios of static to optical dielectric-constants. The mutual Coulomb repulsion of a planar large-bipolaron's paired carriers drives it to a four-lobed shape. A phonon-mediated attraction among large-bipolarons propels their condensation into a liquid. This liquid's excitations move slowly with a huge effective mass. Excitations' concomitant weak scattering by phonons produces a moderate low-temperature dc resistivity that increases linearly with rising temperature. With falling temperature an energy gap opens between large-bipolarons' excitations and those of their self-trapped electronic carriers.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Roth, Friedrich, E-mail: Friedrich.Roth@cfel.de; Knupfer, Martin, E-mail: M.Knupfer@ifw-dresden.de

We report the doping induced changes of the electronic structure of tetracene and pentacene probed by electron energy-loss spectroscopy in transmission. A comparison between the dynamic response of undoped and potassium-intercalated tetracene and pentacene emphasizes the appearance of a new excitation feature in the former gap upon potassium addition. Interestingly, the momentum dependency of this new excitation shows a negative dispersion. Moreover, the analysis of the C 1s and K 2p core-level excitation results in a significantly lower doping level compared to potassium doped picene, a recently discovered superconductor. Therefore, the present electronic structure investigations open a new pathway to better understandmore » the exceptional differences between acenes and phenacene and their divergent behavior upon alkali doping.« less

NREL Announces New Technology Development and Innovation Project Selections

Science.gov Websites

support of the TD&I program, NREL and DOE plan to host an open house in summer 2018 to provide an in about potential partnership opportunities with NREL. The open house will focus on current needs and gaps from the 2017 open house, or for information on the upcoming open house (when available), please visit

Transport Gap Opening and High On-Off Current Ratio in Trilayer Graphene with Self-Aligned Nanodomain Boundaries.

PubMed

Wu, Han-Chun; Chaika, Alexander N; Huang, Tsung-Wei; Syrlybekov, Askar; Abid, Mourad; Aristov, Victor Yu; Molodtsova, Olga V; Babenkov, Sergey V; Marchenko, D; Sánchez-Barriga, Jaime; Mandal, Partha Sarathi; Varykhalov, Andrei Yu; Niu, Yuran; Murphy, Barry E; Krasnikov, Sergey A; Lübben, Olaf; Wang, Jing Jing; Liu, Huajun; Yang, Li; Zhang, Hongzhou; Abid, Mohamed; Janabi, Yahya T; Molotkov, Sergei N; Chang, Ching-Ray; Shvets, Igor

2015-09-22

Trilayer graphene exhibits exceptional electronic properties that are of interest both for fundamental science and for technological applications. The ability to achieve a high on-off current ratio is the central question in this field. Here, we propose a simple method to achieve a current on-off ratio of 10(4) by opening a transport gap in Bernal-stacked trilayer graphene. We synthesized Bernal-stacked trilayer graphene with self-aligned periodic nanodomain boundaries (NBs) on the technologically relevant vicinal cubic-SiC(001) substrate and performed electrical measurements. Our low-temperature transport measurements clearly demonstrate that the self-aligned periodic NBs can induce a charge transport gap greater than 1.3 eV. More remarkably, the transport gap of ∼0.4 eV persists even at 100 K. Our results show the feasibility of creating new electronic nanostructures with high on-off current ratios using graphene on cubic-SiC.

From the Kohn-Sham band gap to the fundamental gap in solids. An integer electron approach.

PubMed

Baerends, E J

2017-06-21

It is often stated that the Kohn-Sham occupied-unoccupied gap in both molecules and solids is "wrong". We argue that this is not a correct statement. The KS theory does not allow to interpret the exact KS HOMO-LUMO gap as the fundamental gap (difference (I - A) of electron affinity (A) and ionization energy (I), twice the chemical hardness), from which it indeed differs, strongly in molecules and moderately in solids. The exact Kohn-Sham HOMO-LUMO gap in molecules is much below the fundamental gap and very close to the much smaller optical gap (first excitation energy), and LDA/GGA yield very similar gaps. In solids the situation is different: the excitation energy to delocalized excited states and the fundamental gap (I - A) are very similar, not so disparate as in molecules. Again the Kohn-Sham and LDA/GGA band gaps do not represent (I - A) but are significantly smaller. However, the special properties of an extended system like a solid make it very easy to calculate the fundamental gap from the ground state (neutral system) band structure calculations entirely within a density functional framework. The correction Δ from the KS gap to the fundamental gap originates from the response part v resp of the exchange-correlation potential and can be calculated very simply using an approximation to v resp . This affords a calculation of the fundamental gap at the same level of accuracy as other properties of crystals at little extra cost beyond the ground state bandstructure calculation. The method is based on integer electron systems, fractional electron systems (an ensemble of N- and (N + 1)-electron systems) and the derivative discontinuity are not invoked.

Optical Dark-Field and Electron Energy Loss Imaging and Spectroscopy of Symmetry-Forbidden Modes in Loaded Nanogap Antennas.

PubMed

Brintlinger, Todd; Herzing, Andrew A; Long, James P; Vurgaftman, Igor; Stroud, Rhonda; Simpkins, B S

2015-06-23

We have produced large numbers of hybrid metal-semiconductor nanogap antennas using a scalable electrochemical approach and systematically characterized the spectral and spatial character of their plasmonic modes with optical dark-field scattering, electron energy loss spectroscopy with principal component analysis, and full wave simulations. The coordination of these techniques reveal that these nanostructures support degenerate transverse modes which split due to substrate interactions, a longitudinal mode which scales with antenna length, and a symmetry-forbidden gap-localized transverse mode. This gap-localized transverse mode arises from mode splitting of transverse resonances supported on both antenna arms and is confined to the gap load enabling (i) delivery of substantial energy to the gap material and (ii) the possibility of tuning the antenna resonance via active modulation of the gap material's optical properties. The resonant position of this symmetry-forbidden mode is sensitive to gap size, dielectric strength of the gap material, and is highly suppressed in air-gapped structures which may explain its absence from the literature to date. Understanding the complex modal structure supported on hybrid nanosystems is necessary to enable the multifunctional components many seek.

Band Gap Engineering of Titania Systems Purposed for Photocatalytic Activity

NASA Astrophysics Data System (ADS)

Thurston, Cameron

Ab initio computer aided design drastically increases candidate population for highly specified material discovery and selection. These simulations, carried out through a first-principles computational approach, accurately extrapolate material properties and behavior. Titanium Dioxide (TiO2 ) is one such material that stands to gain a great deal from the use of these simulations. In its anatase form, titania (TiO2 ) has been found to exhibit a band gap nearing 3.2 eV. If titania is to become a viable alternative to other contemporary photoactive materials exhibiting band gaps better suited for the solar spectrum, then the band gap must be subsequently reduced. To lower the energy needed for electronic excitation, both transition metals and non-metals have been extensively researched and are currently viable candidates for the continued reduction of titania's band gap. The introduction of multicomponent atomic doping introduces new energy bands which tend to both reduce the band gap and recombination loss. Ta-N, Nb-N, V-N, Cr-N, Mo-N, and W-N substitutions were studied in titania and subsequent energy and band gap calculations show a favorable band gap reduction in the case of passivated systems.

Effect of increasing disorder on domains of the 2d Coulomb glass.

PubMed

Bhandari, Preeti; Malik, Vikas

2017-12-06

We have studied a two dimensional lattice model of Coulomb glass for a wide range of disorders at [Formula: see text]. The system was first annealed using Monte Carlo simulation. Further minimization of the total energy of the system was done using an algorithm developed by Baranovskii et al, followed by cluster flipping to obtain the pseudo-ground states. We have shown that the energy required to create a domain of linear size L in d dimensions is proportional to [Formula: see text]. Using Imry-Ma arguments given for random field Ising model, one gets critical dimension [Formula: see text] for Coulomb glass. The investigation of domains in the transition region shows a discontinuity in staggered magnetization which is an indication of a first-order type transition from charge-ordered phase to disordered phase. The structure and nature of random field fluctuations of the second largest domain in Coulomb glass are inconsistent with the assumptions of Imry and Ma, as was also reported for random field Ising model. The study of domains showed that in the transition region there were mostly two large domains, and that as disorder was increased the two large domains remained, but a large number of small domains also opened up. We have also studied the properties of the second largest domain as a function of disorder. We furthermore analysed the effect of disorder on the density of states, and showed a transition from hard gap at low disorders to a soft gap at higher disorders. At [Formula: see text], we have analysed the soft gap in detail, and found that the density of states deviates slightly ([Formula: see text]) from the linear behaviour in two dimensions. Analysis of local minima show that the pseudo-ground states have similar structure.

Enabling direct silicene integration in electronics: First principles study of silicene on NiSi 2(111)

DOE PAGES

Cheng, Jian -Yih; Chan, Maria K. Y.; Lilley, Carmen M.

2016-09-26

Silicene on metal silicides poses promise for direct integration of silicene into electronic devices. The details of the metal silicide-silicene interface, however, may have significant effects on the electronic properties. In this work, the electronic properties of silicene on NiSi 2(111) and hydrogenated NiSi 2(111) (H:NiSi 2) substrates, as well as hydrogenated silicene (H:silicene) on a NiSi 2(111) substrate, were simulated using first principles methods. The preferred Si surface termination of NiSi 2 was determined through surface energy calculations, and the band structure and density of states (DOS) were calculated for the two-dimensional silicene and H:silicene layers. Hydrogenating NiSi 2more » lowered the binding energy between silicene and the substrate and resulting in partial decoupling of the electronic properties. Relaxed silicene on H:NiSi 2 showed a small band gap opening of 0.14 eV. Silicene on H:NiSi 2 also had a calculated electron effective mass of 0.08m 0 and Fermi velocity of 0.39×10 6 m/s, which are similar to the values for freestanding silicene. H:silicene on NiSi 2 retained its band structure and DOS compared to freestanding H:silicene. The band gap of H:silciene on NiSi 2 was 1.97 eV and is similar to freestanding H:silicene band gap of 2 eV. As a result, this research showed that hydrogenation may be a viable method for decoupling a silicene layer from a NiSi 2(111) substrate to tune its electronic properties.« less

Application of back-propagation artificial neural network (ANN) to predict crystallite size and band gap energy of ZnO quantum dots

NASA Astrophysics Data System (ADS)

Pelicano, Christian Mark; Rapadas, Nick; Cagatan, Gerard; Magdaluyo, Eduardo

2017-12-01

Herein, the crystallite size and band gap energy of zinc oxide (ZnO) quantum dots were predicted using artificial neural network (ANN). Three input factors including reagent ratio, growth time, and growth temperature were examined with respect to crystallite size and band gap energy as response factors. The generated results from neural network model were then compared with the experimental results. Experimental crystallite size and band gap energy of ZnO quantum dots were measured from TEM images and absorbance spectra, respectively. The Levenberg-Marquardt (LM) algorithm was used as the learning algorithm for the ANN model. The performance of the ANN model was then assessed through mean square error (MSE) and regression values. Based on the results, the ANN modelling results are in good agreement with the experimental data.

Quantum spin Hall insulator in halogenated arsenene films with sizable energy gaps

PubMed Central

Wang, Dongchao; Chen, Li; Shi, Changmin; Wang, Xiaoli; Cui, Guangliang; Zhang, Pinhua; Chen, Yeqing

2016-01-01

Based on first-principles calculations, the electronic and topological properties of halogenated (F-, Cl-, Br- and I-) arsenene are investigated in detail. It is found that the halogenated arsenene sheets show Dirac type characteristic in the absence of spin-orbital coupling (SOC), whereas energy gap will be induced by SOC with the values ranging from 0.194 eV for F-arsenene to 0.255 eV for I-arsenene. Noticeably, these four newly proposed two-dimensional (2D) systems are verified to be quantum spin Hall (QSH) insulators by calculating the edge states with obvious linear cross inside bulk energy gap. It should be pointed out that the large energy gap in these 2D materials consisted of commonly used element is quite promising for practical applications of QSH insulators at room temperature. PMID:27340091

The effect of solvent relaxation time constants on free energy gap law for ultrafast charge recombination following photoinduced charge separation.

PubMed

Mikhailova, Valentina A; Malykhin, Roman E; Ivanov, Anatoly I

2018-05-16

To elucidate the regularities inherent in the kinetics of ultrafast charge recombination following photoinduced charge separation in donor-acceptor dyads in solutions, the simulations of the kinetics have been performed within the stochastic multichannel point-transition model. Increasing the solvent relaxation time scales has been shown to strongly vary the dependence of the charge recombination rate constant on the free energy gap. In slow relaxing solvents the non-equilibrium charge recombination occurring in parallel with solvent relaxation is very effective so that the charge recombination terminates at the non-equilibrium stage. This results in a crucial difference between the free energy gap laws for the ultrafast charge recombination and the thermal charge transfer. For the thermal reactions the well-known Marcus bell-shaped dependence of the rate constant on the free energy gap is realized while for the ultrafast charge recombination only a descending branch is predicted in the whole area of the free energy gap exceeding 0.2 eV. From the available experimental data on the population kinetics of the second and first excited states for a series of Zn-porphyrin-imide dyads in toluene and tetrahydrofuran solutions, an effective rate constant of the charge recombination into the first excited state has been calculated. The obtained rate constant being very high is nearly invariable in the area of the charge recombination free energy gap from 0.2 to 0.6 eV that supports the theoretical prediction.

Nonlinear Optical Interactions in Semiconductors.

DTIC Science & Technology

1985-12-10

Physique du Solide et Energie Solaire We had on-going interaction with Dr. Christian Verie on the growth of high quality narrow-gap semiconductor crystals...The band gap energy of the semiconductor decreases with increasing temperature. Consequently, the absorption of light in the energy region of the...gas and, more importantly, will modulate the electron energy at the difference frequency, wI - 02" Under ordinary circumstances such an energy (or

Signal enhancement due to high-Z nanofilm electrodes in parallel plate ionization chambers with variable microgaps.

PubMed

Brivio, Davide; Sajo, Erno; Zygmanski, Piotr

2017-12-01

We developed a method for measuring signal enhancement produced by high-Z nanofilm electrodes in parallel plate ionization chambers with variable thickness microgaps. We used a laboratory-made variable gap parallel plate ionization chamber with nanofilm electrodes made of aluminum-aluminum (Al-Al) and aluminum-tantalum (Al-Ta). The electrodes were evaporated on 1 mm thick glass substrates. The interelectrode air gap was varied from 3 μm to 1 cm. The gap size was measured using a digital micrometer and it was confirmed by capacitance measurements. The electric field in the chamber was kept between 0.1 kV/cm and 1 kV/cm for all the gap sizes by applying appropriate compensating voltages. The chamber was exposed to 120 kVp X-rays. The current was measured using a commercial data acquisition system with temporal resolution of 600 Hz. In addition, radiation transport simulations were carried out to characterize the dose, D(x), high-energy electron current, J(x), and deposited charge, Q(x), as a function of distance, x, from the electrodes. A deterministic method was selected over Monte Carlo due to its ability to produce results with 10 nm spatial resolution without stochastic uncertainties. Experimental signal enhancement ratio, SER(G) which we defined as the ratio of signal for Al-air-Ta to signal for Al-air-Al for each gap size, was compared to computations. The individual contributions of dose, electron current, and charge deposition to the signal enhancement were determined. Experimental signals matched computed data for all gap sizes after accounting for several contributions to the signal: (a) charge carrier generated via ionization due to the energy deposited in the air gap, D(x); (b) high-energy electron current, J(x), leaking from high-Z electrode (Ta) toward low-Z electrode (Al); (c) deposited charge in the air gap, Q(x); and (d) the decreased collection efficiency for large gaps (>~500 μm). Q(x) accounts for the electrons below 100 eV, which are regarded as stopped by the radiation transport code but which can move and form electron current in small gaps (<100 μm). While the total energy deposited in the air gap increases with gap size for both samples, the average high-energy current and deposited charge are moderately decreasing with the air gap. When gap sizes are smaller than ~20 μm, the contribution to signal from dose approaches zero while contributions from high-energy current and deposited charges give rise to an offset signal. The measured signal enhancement ratio (SER) was 40.0 ± 5.0 for the 3 μm gap and rapidly decreasing with gap size down to 9.9 ± 1.2 for the 21 μm gap and to 6.6 ± 0.3 for the 100 μm gap. The uncertainties in SER were mostly due to uncertainties in gap size and data acquisition system. We developed an experimental method to determine the signal enhancement due to high-Z nanolayers in parallel plate ionization chambers with micrometer spatial resolution. As the water-equivalent thicknesses of these air gaps are 3 nm to 10 μm, the method may also be applicable for nanoscopic spatial resolution of other gap materials. The method may be extended to solid insulator materials with low Z. © 2017 American Association of Physicists in Medicine.

Conceptual model of sedimentation in the Sacramento-San Joaquin River Delta

USGS Publications Warehouse

Schoellhamer, David H.; Wright, Scott A.; Drexler, Judith Z.

2012-01-01

Sedimentation in the Sacramento–San Joaquin River Delta builds the Delta landscape, creates benthic and pelagic habitat, and transports sediment-associated contaminants. Here we present a conceptual model of sedimentation that includes submodels for river supply from the watershed to the Delta, regional transport within the Delta and seaward exchange, and local sedimentation in open water and marsh habitats. The model demonstrates feedback loops that affect the Delta ecosystem. Submerged and emergent marsh vegetation act as ecosystem engineers that can create a positive feedback loop by decreasing suspended sediment, increasing water column light, which in turn enables more vegetation. Sea-level rise in open water is partially countered by a negative feedback loop that increases deposition if there is a net decrease in hydrodynamic energy. Manipulation of regional sediment transport is probably the most feasible method to control suspended sediment and thus turbidity. The conceptual model is used to identify information gaps that need to be filled to develop an accurate sediment transport model.

Structural basis for the selective permeability of channels made of communicating junction proteins

PubMed Central

Ek-Vitorin, Jose F.; Burt, Janis M.

2012-01-01

The open state(s) of gap junction channels is evident from their permeation by small ions in response to an applied intercellular (transjunctional/transchannel) voltage gradient. That an open channel allows variable amounts of current to transit from cell-to-cell in the face of a constant intercellular voltage difference indicates channel open/closing can be complete or partial. The physiological significance of such open state options is, arguably, the main concern of junctional regulation. Because gap junctions are permeable to many substances, it is sensible to inquire whether and how each open state influences the intercellular diffusion of molecules as valuable as, but less readily detected than current-carrying ions. Presumably, structural changes perceived as shifts in channel conductivity would significantly alter the transjunctional diffusion of molecules whose limiting diameter approximates the pore’s limiting diameter. Moreover, changes in junctional permeability to some molecules might occur without evident changes in conductivity, either at macroscopic or single channel level. Open gap junction channels allow the exchange of cytoplasmic permeants between contacting cells by simple diffusion. The identity of such permeants, and the functional circumstances and consequences of their junctional exchange presently constitute the most urgent (and demanding) themes of the field. Here, we consider the necessity for regulating this exchange, the possible mechanism(s) and structural elements likely involved in such regulation, and how regulatory phenomena could be perceived as changes in chemical vs. electrical coupling; an overall reflection on our collective knowledge of junctional communication is then applied to suggest new avenues of research. PMID:22342665

A smarter way to search, share and utilize open-spatial online data for energy R&D - Custom machine learning and GIS tools in U.S. DOE's virtual data library & laboratory, EDX

NASA Astrophysics Data System (ADS)

Rose, K.; Bauer, J.; Baker, D.; Barkhurst, A.; Bean, A.; DiGiulio, J.; Jones, K.; Jones, T.; Justman, D.; Miller, R., III; Romeo, L.; Sabbatino, M.; Tong, A.

2017-12-01

As spatial datasets are increasingly accessible through open, online systems, the opportunity to use these resources to address a range of Earth system questions grows. Simultaneously, there is a need for better infrastructure and tools to find and utilize these resources. We will present examples of advanced online computing capabilities, hosted in the U.S. DOE's Energy Data eXchange (EDX), that address these needs for earth-energy research and development. In one study the computing team developed a custom, machine learning, big data computing tool designed to parse the web and return priority datasets to appropriate servers to develop an open-source global oil and gas infrastructure database. The results of this spatial smart search approach were validated against expert-driven, manual search results which required a team of seven spatial scientists three months to produce. The custom machine learning tool parsed online, open systems, including zip files, ftp sites and other web-hosted resources, in a matter of days. The resulting resources were integrated into a geodatabase now hosted for open access via EDX. Beyond identifying and accessing authoritative, open spatial data resources, there is also a need for more efficient tools to ingest, perform, and visualize multi-variate, spatial data analyses. Within the EDX framework, there is a growing suite of processing, analytical and visualization capabilities that allow multi-user teams to work more efficiently in private, virtual workspaces. An example of these capabilities are a set of 5 custom spatio-temporal models and data tools that form NETL's Offshore Risk Modeling suite that can be used to quantify oil spill risks and impacts. Coupling the data and advanced functions from EDX with these advanced spatio-temporal models has culminated with an integrated web-based decision-support tool. This platform has capabilities to identify and combine data across scales and disciplines, evaluate potential environmental, social, and economic impacts, highlight knowledge or technology gaps, and reduce uncertainty for a range of `what if' scenarios relevant to oil spill prevention efforts. These examples illustrate EDX's growing capabilities for advanced spatial data search and analysis to support geo-data science needs.

Molecular gap and energy level diagram for pentacene adsorbed on filled d-band metal surfaces

NASA Astrophysics Data System (ADS)

Baldacchini, Chiara; Mariani, Carlo; Betti, Maria Grazia; Gavioli, L.; Fanetti, M.; Sancrotti, M.

2006-10-01

The authors present a combined photoemission and scanning-tunneling spectroscopy study of the filled electronic states, the molecular energy gap, and the energy level diagram of highly ordered arrays of pentacene deposited on the Cu(119) vicinal surface. The states localized at the interface are clearly singled out, comparing the results at different pentacene thicknesses and with gas-phase photoemission data. The molecular gap of 2.35eV, the hole injection barrier of 1.05eV, and the electron injection barrier of 1.30eV determine the energy level diagram of the states localized at the pentacene molecules.

Computational investigation of half-Heusler compounds for spintronics applications

NASA Astrophysics Data System (ADS)

Ma, Jianhua; Hegde, Vinay I.; Munira, Kamaram; Xie, Yunkun; Keshavarz, Sahar; Mildebrath, David T.; Wolverton, C.; Ghosh, Avik W.; Butler, W. H.

2017-01-01

We present first-principles density functional calculations of the electronic structure, magnetism, and structural stability of 378 XYZ half-Heusler compounds (with X = Cr, Mn, Fe, Co, Ni, Ru, Rh; Y = Ti, V, Cr, Mn, Fe, Ni; Z = Al, Ga, In, Si, Ge, Sn, P, As, Sb). We find that a "Slater-Pauling gap" in the density of states (i.e., a gap or pseudogap after nine states in the three atom primitive cell) in at least one spin channel is a common feature in half-Heusler compounds. We find that the presence of such a gap at the Fermi energy in one or both spin channels contributes significantly to the stability of a half-Heusler compound. We calculate the formation energy of each compound and systematically investigate its stability against all other phases in the open quantum materials database (OQMD). We represent the thermodynamic phase stability of each compound as its distance from the convex hull of stable phases in the respective chemical space and show that the hull distance of a compound is a good measure of the likelihood of its experimental synthesis. We find low formation energies and mostly correspondingly low hull distances for compounds with X = Co, Rh, or Ni, Y = Ti or V, and Z = P, As, Sb, or Si. We identify 26 18-electron semiconductors, 45 half-metals, and 34 near half-metals with negative formation energy that follow the Slater-Pauling rule of three electrons per atom. Our calculations predict several new, as-yet unknown, thermodynamically stable phases, which merit further experimental exploration—RuVAs, CoVGe, FeVAs in the half-Heusler structure, and NiScAs, RuVP, RhTiP in the orthorhombic MgSrSi-type structure. Further, two interesting zero-moment half-metals, CrMnAs and MnCrAs, are calculated to have negative formation energy. In addition, our calculations predict a number of hitherto unreported semiconducting (e.g., CoVSn and RhVGe), half-metallic (e.g., RhVSb), and near half-metallic (e.g., CoFeSb and CoVP) half-Heusler compounds to lie close to the respective convex hull of stable phases, and thus may be experimentally realized under suitable synthesis conditions, resulting in potential candidates for various semiconducting and spintronics applications.

Energy-gap spectroscopy of superconductors using a tunneling microscope

NASA Technical Reports Server (NTRS)

Le Duc, H. G.; Kaiser, W. J.; Stern, J. A.

1987-01-01

A unique scanning tunneling microscope (STM) system has been developed for spectroscopy of the superconducting energy gap. High-resolution control of tunnel current and voltage allows for measurement of superconducting properties at tunnel resistance levels 100-1000 greater than that achieved in prior work. The previously used STM methods for superconductor spectroscopy are compared to those developed for the work reported here. Superconducting energy-gap spectra are reported for three superconductors, Pb, PbBi, and NbN, over a range of tunnel resistance. The measured spectra are compared directly to theory.