Continuous, Wireless Monitoring of Sediment Flux within Streams on Military Installations

DTIC Science & Technology

2013-10-17

2.2.1.3.2 Voltage Regulation ...................................................................................... 14 2.2.1.3.3 Mote and Data...components are: A. PCB board; B. Suspended sediment sensor; C. MDA300; D. Crossbow mote (not in the picture); E. Rain gauge; F. Two solenoid valves...wireless mote (MICA2, Crossbow Technology), a rechargeable battery, and a mounting structure. The exact configuration of the wireless sensor node

An Exact Separation of the Spin-Free and Spin-Dependent Terms of the Dirac-Coulomb-Breit Hamiltonian

NASA Technical Reports Server (NTRS)

Dyall, Kenneth G.

1994-01-01

The Dirac Hamiltonian is transformed by extracting the operator (sigma x p)/2mc from the small component of the wave function and applying it to the operators of the original Hamiltonian. The resultant operators contain products of Paull matrices that can be rearranged to give spin-free and spin-dependent operators. These operators are the ones encountered in the Breit-Pauli Hamiltonian, as well as some of higher order in alpha(sup 2). However, since the transformation of the original Dirac Hamiltonian is exact, the new Hamiltonian can be used in variational calculations, with or without the spin-dependent terms. The new small component functions have the same symmetry properties as the large component. Use of only the spin-free terms of the new Hamiltonian permits the same factorization over spin variables as in nonrelativistic theory, and therefore all the post-Self-Consistent Field (SCF) machinery of nonrelativistic calculations can be applied. However, the single-particle functions are two-component orbitals having a large and small component, and the SCF methods must be modified accordingly. Numerical examples are presented, and comparisons are made with the spin-free second-order Douglas-Kroll transformed Hamiltonian of Hess.

Deriving Link Travel-Time Distributions via Stochastic Speed Processes

DTIC Science & Technology

2004-02-01

general, an exact expression for the inverse transform is available when Equation (9) is a vector of rational functions in both of the complex variables...Otherwise, recovery of the original function is accom- plished through the inverse transform f t= 1 2(j ∫ c+j c−j estf ∗s ds (13) which is usually...given by f x t = f ∗s1 s2 = ∫ 0 ∫ 0 e−s1x+s2tf x t dx dt (14) with inverse transform f x t = 1 4(2 ∫ c1+j c1−j ∫ c2+j c2−j e

Vorticity and helicity decompositions and dynamics with real Schur form of the velocity gradient

NASA Astrophysics Data System (ADS)

Zhu, Jian-Zhou

2018-03-01

The real Schur form (RSF) of a generic velocity gradient field ∇u is exploited to expose the structures of flows, in particular, our field decomposition resulting in two vorticities with only mutual linkage as the topological content of the global helicity (accordingly decomposed into two equal parts). The local transformation to the RSF may indicate alternative (co)rotating frame(s) for specifying the objective argument(s) of the constitutive equation. When ∇u is uniformly of RSF in a fixed Cartesian coordinate frame, i.e., ux = ux(x, y) and uy = uy(x, y), but uz = uz(x, y, z), the model, with the decomposed vorticities both frozen-in to u, is for two-component-two-dimensional-coupled-with-one-component-three-dimensional flows in between two-dimensional-three-component (2D3C) and fully three-dimensional-three-component ones and may help curing the pathology in the helical 2D3C absolute equilibrium, making the latter effectively work in more realistic situations.

Elastic constants of random solid solutions by SQS and CPA approaches: the case of fcc Ti-Al.

PubMed

Tian, Li-Yun; Hu, Qing-Miao; Yang, Rui; Zhao, Jijun; Johansson, Börje; Vitos, Levente

2015-08-12

Special quasi-random structure (SQS) and coherent potential approximation (CPA) are techniques widely employed in the first-principles calculations of random alloys. Here we scrutinize these approaches by focusing on the local lattice distortion (LLD) and the crystal symmetry effects. We compare the elastic parameters obtained from SQS and CPA calculations, taking the random face-centered cubic (fcc) Ti(1-x)Al(x) (0 ≤ x ≤ 1) alloy as an example of systems with components showing different electronic structures and bonding characteristics. For the CPA and SQS calculations, we employ the Exact Muffin-Tin Orbitals (EMTO) method and the pseudopotential method as implemented in the Vienna Ab initio Simulation Package (VASP), respectively. We show that the predicted trends of the VASP-SQS and EMTO-CPA parameters against composition are in good agreement with each other. The energy associated with the LLD increases with x up to x = 0.625 ~ 0.750 and drops drastically thereafter. The influence of the LLD on the lattice constants and C12 elastic constant is negligible. C11 and C44 decrease after atomic relaxation for alloys with large LLD, however, the trends of C11 and C44 are not significantly affected. In general, the uncertainties in the elastic parameters associated with the symmetry lowering turn out to be superior to the differences between the two techniques including the effect of LLD.

Three-dimensional inverse problem of geometrical optics: a mathematical comparison between Fermat's principle and the eikonal equation.

PubMed

Borghero, Francesco; Demontis, Francesco

2016-09-01

In the framework of geometrical optics, we consider the following inverse problem: given a two-parameter family of curves (congruence) (i.e., f(x,y,z)=c₁,g(x,y,z)=c₂), construct the refractive-index distribution function n=n(x,y,z) of a 3D continuous transparent inhomogeneous isotropic medium, allowing for the creation of the given congruence as a family of monochromatic light rays. We solve this problem by following two different procedures: 1. By applying Fermat's principle, we establish a system of two first-order linear nonhomogeneous PDEs in the unique unknown function n=n(x,y,z) relating the assigned congruence of rays with all possible refractive-index profiles compatible with this family. Moreover, we furnish analytical proof that the family of rays must be a normal congruence. 2. By applying the eikonal equation, we establish a second system of two first-order linear homogeneous PDEs whose solutions give the equation S(x,y,z)=const. of the geometric wavefronts and, consequently, all pertinent refractive-index distribution functions n=n(x,y,z). Finally, we make a comparison between the two procedures described above, discussing appropriate examples having exact solutions.

Four N(7)-benzyl-substituted 4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridine-5-spiro-1'-cyclohexane-2',6'-diones as ethanol hemisolvates: similar molecular constitutions but different crystal structures.

PubMed

Cruz, Silvia; Trilleras, Jorge; Cobo, Justo; Low, John N; Glidewell, Christopher

2008-12-01

3-tert-Butyl-7-(4-chlorobenzyl)-4',4'-dimethyl-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridine-5-spiro-1'-cyclohexane-2',6'-dione ethanol hemisolvate, C(30)H(34)ClN(3)O(2) x 0.5C(2)H(6)O, (I), its 7-(4-bromobenzyl)- analogue, C(30)H(34)BrN(3)O(2) x 0.5C(2)H(6)O, (II), and its 7-(4-methylbenzyl)- analogue, C(31)H(37)N(3)O(2) x 0.5C(2)H(6)O, (III), are isomorphous, with the ethanol component disordered across a twofold rotation axis in the space group C2/c. In the corresponding 7-[4-(trifluoromethyl)benzyl]- compound, C(31)H(34)F(3)N(3)O(2) x 0.5C(2)H(6)O, (IV), the ethanol component is disordered across a centre of inversion in the space group P\\overline{1}. In each of (I)-(IV), the reduced pyridine ring adopts a half-chair conformation. The heterocyclic components in (I)-(III) are linked into centrosymmetric dimers by a single C-H...pi interaction, with the half-occupancy ethanol component linked to the dimer by a combination of C-H...O and O-H...pi(arene) hydrogen bonds. The heterocyclic molecules in (IV) are linked into chains of centrosymmetric rings by C-H...O and C-H...pi hydrogen bonds, again with the half-occupancy ethanol component pendent from the chain. The significance of this study lies in the isomorphism of the related derivatives (I)-(III), in the stoichiometric hemisolvation by ethanol, where the disordered solvent molecule is linked to the heterocyclic component by a two-point linkage, and in the differences between the crystal structures of (I)-(III) and that of (IV).

Recombining Plasma and Gamma-Ray Emission in the Mixed-morphology Supernova Remnant 3C 400.2

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

Ergin, T.; Sezer, A.; Sano, H.

3C 400.2 belongs to the mixed-morphology supernova remnant class, showing center-filled X-ray and shell-like radio morphology. We present a study of 3C 400.2 with archival Suzaku and Fermi -LAT observations. We find recombining plasma (RP) in the Suzaku spectra of north–east and south–east regions. The spectra of these regions are well described by two-component thermal plasma models: the hard component is in RP, while the soft component is in collisional ionization equilibrium (CIE) conditions. The RP has enhanced abundances, indicating that the X-ray emission has an ejecta origin, while the CIE has solar abundances associated with the interstellar material. Themore » X-ray spectra of north–west and south–west regions are best fitted by a two-component thermal plasma model: an ionizing and a CIE plasma. We have detected GeV gamma-ray emission from 3C 400.2 at the level of ∼5 σ , assuming a point-like source model with a power-law (PL) type spectrum. We have also detected a new GeV source at the level of ∼13 σ, assuming a Gaussian extension model with a PL-type spectrum in the neighborhood of the supernova remnant. We report the analysis results of 3C 400.2 and the new extended gamma-ray source, and discuss the nature of gamma-ray emission of 3C 400.2 in the context of existing NANTEN CO data, Dominion Radio Astrophysical Observatory H i data, and the Suzaku X-ray analysis results.« less

Inverse Compton X-ray signature of AGN feedback

NASA Astrophysics Data System (ADS)

Bourne, Martin A.; Nayakshin, Sergei

2013-12-01

Bright AGN frequently show ultrafast outflows (UFOs) with outflow velocities vout ˜ 0.1c. These outflows may be the source of AGN feedback on their host galaxies sought by galaxy formation modellers. The exact effect of the outflows on the ambient galaxy gas strongly depends on whether the shocked UFOs cool rapidly or not. This in turn depends on whether the shocked electrons share the same temperature as ions (one-temperature regime, 1T) or decouple (2T), as has been recently suggested. Here we calculate the inverse Compton spectrum emitted by such shocks, finding a broad feature potentially detectable either in mid-to-high energy X-rays (1T case) or only in the soft X-rays (2T). We argue that current observations of AGN do not seem to show evidence for the 1T component. The limits on the 2T emission are far weaker, and in fact it is possible that the observed soft X-ray excess of AGN is partially or fully due to the 2T shock emission. This suggests that UFOs are in the energy-driven regime outside the central few pc, and must pump considerable amounts of not only momentum but also energy into the ambient gas. We encourage X-ray observers to look for the inverse Compton components calculated here in order to constrain AGN feedback models further.

F-Test Alternatives to Fisher's Exact Test and to the Chi-Square Test of Homogeneity in 2x2 Tables.

ERIC Educational Resources Information Center

Overall, John E.; Starbuck, Robert R.

1983-01-01

An alternative to Fisher's exact test and the chi-square test for homogeneity in two-by-two tables is developed. The method provides for Type I error rates which are closer to the stated alpha level than either of the alternatives. (JKS)

Charged excitons in a dilute two-dimensional electron gas in a high magnetic field

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

Wojs, Arkadiusz; Institute of Physics, Wroclaw University of Technology, Wroclaw 50-370,; Quinn, John J.

2000-08-15

A theory of charged excitons X{sup -} in a dilute two-dimensional (2D) electron gas in a high-magnetic field is presented. In contrast to previous calculations, three bound X{sup -} states (one singlet and two triplets) are found in a narrow and symmetric GaAs quantum well. The singlet and a ''bright'' triplet are the two optically active states observed in experiments. The bright triplet has the binding energy of about 1 meV, smaller than the singlet and a ''dark'' triplet. The interaction of bound X{sup -}'s with a dilute 2D electron gas is investigated using exact diagonalization techniques. It is foundmore » that the short-range character of the e-X{sup -} interactions effectively isolates bound X{sup -} states from a dilute e-h plasma. This results in the insensitivity of the photoluminescence spectrum to the filling factor {nu}, and a rapid decrease of the oscillator strength of the dark triplet X{sup -} as a function of {nu}{sup -1}. (c) 2000 The American Physical Society.« less

Probing the role of ceramide hydroxylation in skin barrier lipid models by 2H solid-state NMR spectroscopy and X-ray powder diffraction.

PubMed

Kováčik, Andrej; Vogel, Alexander; Adler, Juliane; Pullmannová, Petra; Vávrová, Kateřina; Huster, Daniel

2018-05-01

In this work, we studied model stratum corneum lipid mixtures composed of the hydroxylated skin ceramides N-lignoceroyl 6-hydroxysphingosine (Cer[NH]) and α-hydroxylignoceroyl phytosphingosine (Cer[AP]). Two model skin lipid mixtures of the composition Cer[NH] or Cer[AP], N-lignoceroyl sphingosine (Cer[NS]), lignoceric acid (C24:0) and cholesterol in a 0.5:0.5:1:1 molar ratio were compared. Model membranes were investigated by differential scanning calorimetry and 2 H solid-state NMR spectroscopy at temperatures from 25 °C to 80 °C. Each component of the model mixture was specifically deuterated for selective detection by 2 H NMR. Thus, the exact phase composition of the mixture at varying temperatures could be quantified. Moreover, using X-ray powder diffraction we investigated the lamellar phase formation. From the solid-state NMR and DSC studies, we found that both hydroxylated Cer[NH] and Cer[AP] exhibit a similar phase behavior. At physiological skin temperature of 32 °C, the lipids form a crystalline (orthorhombic) phase. With increasing temperature, most of the lipids become fluid and form a liquid-crystalline phase, which converts to the isotropic phase at higher temperatures (65-80 °C). Interestingly, lignoceric acid in the Cer[NH]-containing mixture has a tendency to form two types of fluid phases at 65 °C. This tendency was also observed in Cer[AP]-containing membranes at 80 °C. While Cer[AP]-containing lipid models formed a short periodicity phase featuring a repeat spacing of d = 5.4 nm, in the Cer[NH]-based model skin lipid membranes, the formation of unusual long periodicity phase with a repeat spacing of d = 10.7 nm was observed. Copyright © 2018 Elsevier B.V. All rights reserved.

An 'unconditional-like' structure for the conditional estimator of odds ratio from 2 x 2 tables.

PubMed

Hanley, James A; Miettinen, Olli S

2006-02-01

In the estimation of the odds ratio (OR), the conditional maximum-likelihood estimate (cMLE) is preferred to the more readily computed unconditional one (uMLE). However, the exact cMLE does not have a closed form to help divine it from the uMLE or to understand in what circumstances the difference between the two is appreciable. Here, the cMLE is shown to have the same 'ratio of cross-products' structure as its unconditional counterpart, but with two of the cell frequencies augmented, so as to shrink the unconditional estimator towards unity. The augmentation involves a factor, similar to the finite population correction, derived from the minimum of the marginal totals.

Neumann boundary controllability of the Gear-Grimshaw system with critical size restrictions on the spatial domain

NASA Astrophysics Data System (ADS)

Capistrano-Filho, Roberto A.; Gallego, Fernando A.; Pazoto, Ademir F.

2016-10-01

In this paper, we study the boundary controllability of the Gear-Grimshaw system posed on a finite domain (0, L), with Neumann boundary conditions: ut + uu_x+u_{xxx} + a v_{xxx} + a_1vv_x+a_2 (uv)_x =0, & {in} (0,L)× (0,T), c v_t +rv_x +vv_x+abu_{xxx} +v_{xxx}+a_2buu_x+a_1b(uv)_x =0, &{in} (0,L)× (0,T), u_{xx}(0,t)=h_0(t), u_x(L,t)=h_1(t), u_{xx}(L,t)=h_2(t), &{in} (0,T), v_{xx}(0,t)=g_0(t), v_x(L,t)=g_1(t), v_{xx}(L,t)=g_2(t), &{in} (0,T), u(x,0)= u^0(x), quad v(x,0)= v^0(x), & {in} (0,L). We first prove that the corresponding linearized system around the origin is exactly controllable in {(L^2(0,L))^2} when h 2( t) = g 2( t) = 0. In this case, the exact controllability property is derived for any L > 0 with control functions {h_0, g_0 in H^{-1/3}(0,T)} and {h_1, g_1in L^2(0,T)}. If we change the position of the controls and consider {h_0(t)=h_2(t)=0} (resp. {g_0(t)=g_2(t)=0)}, we obtain the result with control functions {g_0, g_2in H^{-1/3}(0,T)} and {h_1, g_1in L^2(0,T)} if and only if the length L of the spatial domain (0, L) does not belong to a countable set. In all cases, the regularity of the controls are sharp in time. If only one control act in the boundary condition, {h_0(t)=g_0(t)=h_2(t)=g_2(t)=0} and g 1( t) = 0 (resp. h 1( t) = 0), the linearized system is proved to be exactly controllable for small values of the length L and large time of control T. Finally, the nonlinear system is shown to be locally exactly controllable via the contraction mapping principle, if the associated linearized systems are exactly controllable.

Fermion-induced quantum critical points in two-dimensional Dirac semimetals

NASA Astrophysics Data System (ADS)

Jian, Shao-Kai; Yao, Hong

2017-11-01

In this paper we investigate the nature of quantum phase transitions between two-dimensional Dirac semimetals and Z3-ordered phases (e.g., Kekule valence-bond solid), where cubic terms of the order parameter are allowed in the quantum Landau-Ginzberg theory and the transitions are putatively first order. From large-N renormalization-group (RG) analysis, we find that fermion-induced quantum critical points (FIQCPs) [Z.-X. Li et al., Nat. Commun. 8, 314 (2017), 10.1038/s41467-017-00167-6] occur when N (the number of flavors of four-component Dirac fermions) is larger than a critical value Nc. Remarkably, from the knowledge of space-time supersymmetry, we obtain an exact lower bound for Nc, i.e., Nc>1 /2 . (Here the "1/2" flavor of four-component Dirac fermions is equivalent to one flavor of four-component Majorana fermions). Moreover, we show that the emergence of two length scales is a typical phenomenon of FIQCPs and obtain two different critical exponents, i.e., ν ≠ν' , by large-N RG calculations. We further give a brief discussion of possible experimental realizations of FIQCPs.

Corona[5]arenes Accessed by a Macrocycle-to-Macrocycle Transformation Route and a One-Pot Three-Component Reaction.

PubMed

Wu, Zhi-Chen; Guo, Qing-Hui; Wang, Mei-Xiang

2017-06-12

Corona[5]arenes, a novel type of macrocyclic compound that is composed of alternating heteroatoms and para-arylenes, were synthesized efficiently by two distinct methods. In a macrocycle-to-macrocycle transformation approach, S 6 -corona[3]arene[3]tetrazine underwent sequential S N Ar reactions with HS-C 6 H 4 -X-C 6 H 4 -SH (X=S, CH 2 , CMe 2 , SO 2 , and O) to produce the corresponding corona[3]arene[2]tetrazines. Different corona[3]arene[2]tetrazine compounds were also constructed in a straightforward manner by a one-pot three-component reaction of HS-C 6 H 4 -X-C 6 H 4 -SH (X=S, CH 2 , CMe 2 , SO 2 , and O) with diethyl 2,5-dimercaptoterephthalate and 2 equiv of 3,6-dichlorotetrazine under very mild conditions. All corona[5]arenes adopted 1,2,4-alternate conformational structures in the crystalline state yielding similar nearly regular pentagonal cavities. Both the cavity size and the electronic property of the acquired macrocycles were fine-tuned by the nature of the bridging element X. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Improved Laboratory Values of the H{sub 2} Lyman and Werner Lines for Constraining Time Variation of the Proton-to-Electron Mass Ratio

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

Salumbides, E. J.; Khramov, A.; Wolf, A. L.

2008-11-28

Two distinct high-accuracy laboratory spectroscopic investigations of the H{sub 2} molecule are reported. Anchor lines in the EF{sup 1}{sigma}{sub g}{sup +}-X{sup 1}{sigma}{sub g}{sup +} system are calibrated by two-photon deep-UV Doppler-free spectroscopy, while independent Fourier-transform spectroscopic measurements are performed that yield accurate spacings in the B{sup 1}{sigma}{sub u}{sup +}-EF{sup 1}{sigma}{sub g}{sup +} and I{sup 1}{pi}{sub g}-C{sup 1}{pi}{sub u} systems. From combination differences accurate transition wavelengths for the B-X Lyman and the C-X Werner lines can be determined with accuracies better than {approx}5x10{sup -9}, representing a major improvement over existing values. This metrology provides a practically exact database to extract amore » possible variation of the proton-to-electron mass ratio based on H{sub 2} lines in high-redshift objects. Moreover, it forms a rationale for equipping a future class of telescopes, carrying 30-40 m dishes, with novel spectrometers of higher resolving powers.« less

Spatial extent of branching Brownian motion.

PubMed

Ramola, Kabir; Majumdar, Satya N; Schehr, Grégory

2015-04-01

We study the one-dimensional branching Brownian motion starting at the origin and investigate the correlation between the rightmost (X(max)≥0) and leftmost (X(min)≤0) visited sites up to time t. At each time step the existing particles in the system either diffuse (with diffusion constant D), die (with rate a), or split into two particles (with rate b). We focus on the regime b≤a where these two extreme values X(max) and X(min) are strongly correlated. We show that at large time t, the joint probability distribution function (PDF) of the two extreme points becomes stationary P(X,Y,t→∞)→p(X,Y). Our exact results for p(X,Y) demonstrate that the correlation between X(max) and X(min) is nonzero, even in the stationary state. From this joint PDF, we compute exactly the stationary PDF p(ζ) of the (dimensionless) span ζ=(X(max)-X(min))/√[D/b], which is the distance between the rightmost and leftmost visited sites. This span distribution is characterized by a linear behavior p(ζ)∼1/2(1+Δ)ζ for small spans, with Δ=(a/b-1). In the critical case (Δ=0) this distribution has a nontrivial power law tail p(ζ)∼8π√[3]/ζ(3) for large spans. On the other hand, in the subcritical case (Δ>0), we show that the span distribution decays exponentially as p(ζ)∼(A(2)/2)ζexp(-√[Δ]ζ) for large spans, where A is a nontrivial function of Δ, which we compute exactly. We show that these asymptotic behaviors carry the signatures of the correlation between X(max) and X(min). Finally we verify our results via direct Monte Carlo simulations.

Study of η (1475 ) and X (1835 ) in radiative J /ψ decays to γ ϕ

NASA Astrophysics Data System (ADS)

Ablikim, M.; Achasov, M. N.; Ahmed, S.; Albayrak, O.; Albrecht, M.; Alekseev, M.; Ambrose, D. J.; Amoroso, A.; An, F. F.; An, Q.; Bai, J. Z.; Bakina, O.; Baldini Ferroli, R.; Ban, Y.; Bennett, D. W.; Bennett, J. V.; Berger, N.; Bertani, M.; Bettoni, D.; Bian, J. M.; Bianchi, F.; Boger, E.; Boyko, I.; Briere, R. A.; Cai, H.; Cai, X.; Cakir, O.; Calcaterra, A.; Cao, G. F.; Cetin, S. A.; Chai, J.; Chang, J. F.; Chelkov, G.; Chen, G.; Chen, H. S.; Chen, J. C.; Chen, M. L.; Chen, P. L.; Chen, S. J.; Chen, X. R.; Chen, Y. B.; Chu, X. K.; Cibinetto, G.; Dai, H. L.; Dai, J. P.; Dbeyssi, A.; Dedovich, D.; Deng, Z. Y.; Denig, A.; Denysenko, I.; Destefanis, M.; de Mori, F.; Ding, Y.; Dong, C.; Dong, J.; Dong, L. Y.; Dong, M. Y.; Dorjkhaidav, O.; Dou, Z. L.; Du, S. X.; Duan, P. F.; Fang, J.; Fang, S. S.; Fang, X.; Fang, Y.; Farinelli, R.; Fava, L.; Fegan, S.; Feldbauer, F.; Felici, G.; Feng, C. Q.; Fioravanti, E.; Fritsch, M.; Fu, C. D.; Gao, Y. G.; Gao, Q.; Gao, X. L.; Gao, Y.; Gao, Z.; Garzia, I.; Goetzen, K.; Gong, L.; Gong, W. X.; Gradl, W.; Greco, M.; Gu, M. H.; Gu, S.; Gu, Y. T.; Guo, A. Q.; Guo, L. B.; Guo, R. P.; Guo, Y. P.; Haddadi, Z.; Hafner, A.; Han, S.; Hao, X. Q.; Harris, F. A.; He, K. L.; He, X. Q.; Heinsius, F. H.; Held, T.; Heng, Y. K.; Holtmann, T.; Hou, Z. L.; Hu, C.; Hu, H. M.; Hu, T.; Hu, Y.; Huang, G. S.; Huang, J. S.; Huang, X. T.; Huang, X. Z.; Huang, Z. L.; Hussain, T.; Ikegami Andersson, W.; Ji, Q.; Ji, Q. P.; Ji, X. B.; Ji, X. L.; Jiang, X. S.; Jiang, X. Y.; Jiao, J. B.; Jiao, Z.; Jin, D. P.; Jin, S.; Johansson, T.; Julin, A.; Kalantar-Nayestanaki, N.; Kang, X. L.; Kang, X. S.; Kavatsyuk, M.; Ke, B. C.; Khan, Tabassum; Kiese, P.; Kliemt, R.; Kloss, B.; Kolcu, O. B.; Kopf, B.; Kornicer, M.; Kupsc, A.; Kühn, W.; Lange, J. S.; Lara, M.; Larin, P.; Lavezzi, L.; Leithoff, H.; Leng, C.; Li, C.; Li, Cheng; Li, D. M.; Li, F.; Li, F. Y.; Li, G.; Li, H. B.; Li, H. J.; Li, J. C.; Li, Jin; Li, K.; Li, K.; Li, Lei; Li, P. L.; Li, P. R.; Li, Q. Y.; Li, T.; Li, W. D.; Li, W. G.; Li, X. L.; Li, X. N.; Li, X. Q.; Li, Z. B.; Liang, H.; Liang, Y. F.; Liang, Y. T.; Liao, G. R.; Lin, D. X.; Liu, B.; Liu, B. J.; Liu, C. X.; Liu, D.; Liu, F. H.; Liu, Fang; Liu, Feng; Liu, H. B.; Liu, H. H.; Liu, H. H.; Liu, H. M.; Liu, J. B.; Liu, J. P.; Liu, J. Y.; Liu, K.; Liu, K. Y.; Liu, Ke; Liu, L. D.; Liu, P. L.; Liu, Q.; Liu, S. B.; Liu, X.; Liu, Y. B.; Liu, Y. Y.; Liu, Z. A.; Liu, Zhiqing; Loehner, H.; Long, Y. F.; Lou, X. C.; Lu, H. J.; Lu, J. G.; Lu, Y.; Lu, Y. P.; Luo, C. L.; Luo, M. X.; Luo, T.; Luo, X. L.; Lyu, X. R.; Ma, F. C.; Ma, H. L.; Ma, L. L.; Ma, M. M.; Ma, Q. M.; Ma, T.; Ma, X. N.; Ma, X. Y.; Ma, Y. M.; Maas, F. E.; Maggiora, M.; Malik, Q. A.; Mao, Y. J.; Mao, Z. P.; Marcello, S.; Messchendorp, J. G.; Mezzadri, G.; Min, J.; Min, T. J.; Mitchell, R. E.; Mo, X. H.; Mo, Y. J.; Morales Morales, C.; Morello, G.; Muchnoi, N. Yu.; Muramatsu, H.; Musiol, P.; Nefedov, Y.; Nerling, F.; Nikolaev, I. B.; Ning, Z.; Nisar, S.; Niu, S. L.; Niu, X. Y.; Olsen, S. L.; Ouyang, Q.; Pacetti, S.; Pan, Y.; Patteri, P.; Pelizaeus, M.; Pellegrino, J.; Peng, H. P.; Peters, K.; Pettersson, J.; Ping, J. L.; Ping, R. G.; Poling, R.; Prasad, V.; Qi, H. R.; Qi, M.; Qian, S.; Qiao, C. F.; Qin, J. J.; Qin, N.; Qin, X. S.; Qin, Z. H.; Qiu, J. F.; Rashid, K. H.; Redmer, C. F.; Ripka, M.; Rong, G.; Rosner, Ch.; Ruan, X. D.; Sarantsev, A.; Savrié, M.; Schnier, C.; Schoenning, K.; Shan, W.; Shao, M.; Shen, C. P.; Shen, P. X.; Shen, X. Y.; Sheng, H. Y.; Song, J. J.; Song, X. Y.; Sosio, S.; Spataro, S.; Sun, G. X.; Sun, J. F.; Sun, S. S.; Sun, X. H.; Sun, Y. J.; Sun, Y. K.; Sun, Y. Z.; Sun, Z. J.; Sun, Z. T.; Tang, C. J.; Tang, X.; Tapan, I.; Thorndike, E. H.; Tiemens, M.; Tsednee, Ts; Uman, I.; Varner, G. S.; Wang, B.; Wang, B. L.; Wang, D.; Wang, D. Y.; Wang, Dan; Wang, K.; Wang, L. L.; Wang, L. S.; Wang, M.; Wang, P.; Wang, P. L.; Wang, W. P.; Wang, X. F.; Wang, Y. D.; Wang, Y. F.; Wang, Y. Q.; Wang, Z.; Wang, Z. G.; Wang, Z. H.; Wang, Z. Y.; Wang, Z. Y.; Weber, T.; Wei, D. H.; Weidenkaff, P.; Wen, S. P.; Wiedner, U.; Wolke, M.; Wu, L. H.; Wu, L. J.; Wu, Z.; Xia, L.; Xia, Y.; Xiao, D.; Xiao, Y. J.; Xiao, Z. J.; Xie, Y. G.; Xie, Yuehong; Xiong, X. A.; Xiu, Q. L.; Xu, G. F.; Xu, J. J.; Xu, L.; Xu, Q. J.; Xu, Q. N.; Xu, X. P.; Yan, L.; Yan, W. B.; Yan, W. C.; Yan, Y. H.; Yang, H. J.; Yang, H. X.; Yang, L.; Yang, Y. H.; Yang, Y. X.; Ye, M.; Ye, M. H.; Yin, J. H.; You, Z. Y.; Yu, B. X.; Yu, C. X.; Yu, J. S.; Yuan, C. Z.; Yuan, Y.; Yuncu, A.; Zafar, A. A.; Zeng, Y.; Zeng, Z.; Zhang, B. X.; Zhang, B. Y.; Zhang, C. C.; Zhang, D. H.; Zhang, H. H.; Zhang, H. Y.; Zhang, J.; Zhang, J. L.; Zhang, J. Q.; Zhang, J. W.; Zhang, J. Y.; Zhang, J. Z.; Zhang, K.; Zhang, L.; Zhang, S. Q.; Zhang, X. Y.; Zhang, Y.; Zhang, Y.; Zhang, Y. H.; Zhang, Y. T.; Zhang, Yu; Zhang, Z. H.; Zhang, Z. P.; Zhang, Z. Y.; Zhao, G.; Zhao, J. W.; Zhao, J. Y.; Zhao, J. Z.; Zhao, Lei; Zhao, Ling; Zhao, M. G.; Zhao, Q.; Zhao, S. J.; Zhao, T. C.; Zhao, Y. B.; Zhao, Z. G.; Zhemchugov, A.; Zheng, B.; Zheng, J. P.; Zheng, W. J.; Zheng, Y. H.; Zhong, B.; Zhou, L.; Zhou, X.; Zhou, X. K.; Zhou, X. R.; Zhou, X. Y.; Zhou, Y. X.; Zhu, K.; Zhu, K. J.; Zhu, S.; Zhu, S. H.; Zhu, X. L.; Zhu, Y. C.; Zhu, Y. S.; Zhu, Z. A.; Zhuang, J.; Zotti, L.; Zou, B. S.; Zou, J. H.; Besiii Collaboration

2018-03-01

The decay J /ψ →γ γ ϕ is studied using a sample of 1.31 ×109 J /ψ events collected with the BESIII detector. Two structures around 1475 MeV /c2 and 1835 MeV /c2 are observed in the γ ϕ invariant mass spectrum for the first time. With a fit on the γ ϕ invariant mass, which takes into account the interference between the two structures, and a simple analysis of the angular distribution, the structure around 1475 MeV /c2 is found to favor an assignment as the η (1475 ) and the mass and width for the structure around 1835 MeV /c2 are consistent with the X (1835 ). The statistical significances of the two structures are 13.5 σ and 6.3 σ , respectively. The results indicate that both η (1475 ) and X (1835 ) contain a sizeable s s ¯ component.

Study of η ( 1475 ) and X ( 1835 ) in radiative J / ψ decays to γ Φ

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

Ablikim, M.; Achasov, M. N.; Ahmed, S.

The decay J/ψ → γγΦ is studied using a sample of 1.31×109 J/ events collected with the BESIII detector. Two structures around 1475 MeV/c 2 and 1835 MeV/c 2 are observed in the invariant mass spectrum for the first time. With a fit on the γΦ invariant mass, which takes into account the interference between the two structures, and a simple analysis of the angular distribution, the structure around 1475 MeV/c 2 is found to favor an assignment as the (1475) and the mass and width for the structure around 1835 MeV/c 2 are consistent with the X(1835). The statisticalmore » significances of the two structures are 13.5σ and 6.3σ, respectively. The results indicate that both (1475) and X(1835) contain a sizeable s¯s component.« less

Study of η ( 1475 ) and X ( 1835 ) in radiative J / ψ decays to γ Φ

DOE PAGES

Ablikim, M.; Achasov, M. N.; Ahmed, S.; ...

2018-03-06

The decay J/ψ → γγΦ is studied using a sample of 1.31×109 J/ events collected with the BESIII detector. Two structures around 1475 MeV/c 2 and 1835 MeV/c 2 are observed in the invariant mass spectrum for the first time. With a fit on the γΦ invariant mass, which takes into account the interference between the two structures, and a simple analysis of the angular distribution, the structure around 1475 MeV/c 2 is found to favor an assignment as the (1475) and the mass and width for the structure around 1835 MeV/c 2 are consistent with the X(1835). The statisticalmore » significances of the two structures are 13.5σ and 6.3σ, respectively. The results indicate that both (1475) and X(1835) contain a sizeable s¯s component.« less

Non-equilibrium steady-state distributions of colloids in a tilted periodic potential

NASA Astrophysics Data System (ADS)

Ma, Xiaoguang; Lai, Pik-Yin; Ackerson, Bruce; Tong, Penger

A two-layer colloidal system is constructed to study the effects of the external force F on the non-equilibrium steady-state (NESS) dynamics of the diffusing particles over a tilted periodic potential, in which detailed balance is broken due to the presence of a steady particle flux. The periodic potential is provided by the bottom layer colloidal spheres forming a fixed crystalline pattern on a glass substrate. The corrugated surface of the bottom colloidal crystal provides a gravitational potential field for the top layer diffusing particles. By tilting the sample with respect to gravity, a tangential component F is applied to the diffusing particles. The measured NESS probability density function Pss (x , y) of the particles is found to deviate from the equilibrium distribution depending on the driving or distance from equilibrium. The experimental results are compared with the exact solution of the 1D Smoluchowski equation and the numerical results of the 2D Smoluchowski equation. Moreover, from the obtained exact 1D solution, we develop an analytical method to accurately extract the 1D potential U0 (x) from the measured Pss (x) . Work supported in part by the Research Grants Council of Hong Kong SAR.

Asymptotically Exact Heuristics for Prime Divisors of the Sequence {a^k+b^k}_{k=1}^infty

NASA Astrophysics Data System (ADS)

Moree, Pieter

2006-07-01

Let N_{a,b}(x) count the number of primes p<= x with p dividing a^k+b^k for some k>= 1. It is known that N_{a,b}(x)sim c(a,b)x/log x for some rational number c(a,b) that depends in a rather intricate way on a and b. A simple heuristic formula for N_{a,b}(x) is proposed and it is proved that it is asymptotically exact, i.e., has the same asymptotic behavior as N_{a,b}(x). Connections with Ramanujan sums and character sums are discussed.

Simultaneous UV and X-ray Spectroscopy of the Seyfert 1 Galaxy NGC 5548. I. Evidence for Dust in the UV Absorbers

NASA Astrophysics Data System (ADS)

Kraemer, S. B.; Crenshaw, D. M.; Gabel, J. R.; Kaastra, J. S.; Steenbrugge, K.; George, I. M.; Turner, T. J.; Yaqoob, T.; Dunn, J. P.

2002-12-01

We present new UV spectra of the nucleus of the Seyfert 1 galaxy NGC 5548, obtained with the Space Telescope Imaging Spectrograph at high spectral resolution (λ /Δ λ = 30,000 - 46,000), simultaneously with Chandra X-ray Observatory spectra. Taking advantage of the low UV continuum and broad emission-line fluxes, we have determined that the deepest UV absorption component covers at least a portion of the inner high-ionization narrow-line region (NLR). Assuming the NLR is fully covered, we find nonunity covering factors in the cores of several components, which increase the column density measurements of N V and C IV by factors of 1.2 to 1.9; however, the revised columns have only a minor effect on the parameters derived from our photoionization models. For the first time, we have simultaneous C IV and N V columns for component 1 (at -1040 km s-1), and find that this component cannot be an X-ray warm absorber, contrary to our previous claim (based on nonsimultaneous observations of N V and C IV). We find that dust-free models of the absorbers severely overpredict the O VI columns previously obtained with the Far Ultraviolet Spectrograph, and present arguments that this is not likely due to variability. However, models that include dust (and thereby heavily deplete carbon) are successful in matching all of the observed ionic columns, and result in substantially lower ionization parameters and total column densities compared to dust-free models. Interestingly, these models yield the exact amount of dust needed to produce the observed reddening of the inner NLR, assuming a Galactic dust to gas ratio. The models produce little O VII and O VIII, indicating that none of the dusty UV absorbers is associated with a classic X-ray warm absorber.

Fluctuation-induced forces in confined ideal and imperfect Bose gases

NASA Astrophysics Data System (ADS)

Diehl, H. W.; Rutkevich, Sergei B.

2017-06-01

Fluctuation-induced ("Casimir") forces caused by thermal and quantum fluctuations are investigated for ideal and imperfect Bose gases confined to d -dimensional films of size ∞d -1×D under periodic (P), antiperiodic (A), Dirichlet-Dirichlet (DD), Neumann-Neumann (NN), and Robin (R) boundary conditions (BCs). The full scaling functions ΥdBC(xλ=D /λth ,xξ=D /ξ ) of the residual reduced grand potential per area φres,dBC(T ,μ ,D ) =D-(d -1 )ΥdBC(xλ,xξ) are determined for the ideal gas case with these BCs, where λth and ξ are the thermal de Broglie wavelength and the bulk correlation length, respectively. The associated limiting scaling functions ΘdBC(xξ) ≡ΥdBC(∞ ,xξ) describing the critical behavior at the bulk condensation transition are shown to agree with those previously determined from a massive free O (2 ) theory for BC=P,A,DD,DN,NN . For d =3 , they are expressed in closed analytical form in terms of polylogarithms. The analogous scaling functions ΥdBC(xλ,xξ,c1D ,c2D ) and ΘdR(xξ,c1D ,c2D ) under the RBCs (∂z-c1) ϕ |z=0=(∂z+c2) ϕ | z =D=0 with c1≥0 and c2≥0 are also determined. The corresponding scaling functions Υ∞,d P(xλ,xξ) and Θ∞,d P(xξ) for the imperfect Bose gas are shown to agree with those of the interacting Bose gas with n internal degrees of freedom in the limit n →∞ . Hence, for d =3 , Θ∞,d P(xξ) is known exactly in closed analytic form. To account for the breakdown of translation invariance in the direction perpendicular to the boundary planes implied by free BCs such as DDBCs, a modified imperfect Bose gas model is introduced that corresponds to the limit n →∞ of this interacting Bose gas. Numerically and analytically exact results for the scaling function Θ∞,3 DD(xξ) therefore follow from those of the O (2 n ) ϕ4 model for n →∞ .

Fluctuation-induced forces in confined ideal and imperfect Bose gases.

PubMed

Diehl, H W; Rutkevich, Sergei B

2017-06-01

Fluctuation-induced ("Casimir") forces caused by thermal and quantum fluctuations are investigated for ideal and imperfect Bose gases confined to d-dimensional films of size ∞^{d-1}×D under periodic (P), antiperiodic (A), Dirichlet-Dirichlet (DD), Neumann-Neumann (NN), and Robin (R) boundary conditions (BCs). The full scaling functions Υ_{d}^{BC}(x_{λ}=D/λ_{th},x_{ξ}=D/ξ) of the residual reduced grand potential per area φ_{res,d}^{BC}(T,μ,D)=D^{-(d-1)}Υ_{d}^{BC}(x_{λ},x_{ξ}) are determined for the ideal gas case with these BCs, where λ_{th} and ξ are the thermal de Broglie wavelength and the bulk correlation length, respectively. The associated limiting scaling functions Θ_{d}^{BC}(x_{ξ})≡Υ_{d}^{BC}(∞,x_{ξ}) describing the critical behavior at the bulk condensation transition are shown to agree with those previously determined from a massive free O(2) theory for BC=P,A,DD,DN,NN. For d=3, they are expressed in closed analytical form in terms of polylogarithms. The analogous scaling functions Υ_{d}^{BC}(x_{λ},x_{ξ},c_{1}D,c_{2}D) and Θ_{d}^{R}(x_{ξ},c_{1}D,c_{2}D) under the RBCs (∂_{z}-c_{1})ϕ|_{z=0}=(∂_{z}+c_{2})ϕ|_{z=D}=0 with c_{1}≥0 and c_{2}≥0 are also determined. The corresponding scaling functions Υ_{∞,d}^{P}(x_{λ},x_{ξ}) and Θ_{∞,d}^{P}(x_{ξ}) for the imperfect Bose gas are shown to agree with those of the interacting Bose gas with n internal degrees of freedom in the limit n→∞. Hence, for d=3, Θ_{∞,d}^{P}(x_{ξ}) is known exactly in closed analytic form. To account for the breakdown of translation invariance in the direction perpendicular to the boundary planes implied by free BCs such as DDBCs, a modified imperfect Bose gas model is introduced that corresponds to the limit n→∞ of this interacting Bose gas. Numerically and analytically exact results for the scaling function Θ_{∞,3}^{DD}(x_{ξ}) therefore follow from those of the O(2n)ϕ^{4} model for n→∞.

Implementation of a Personal Computer Based Parameter Estimation Program

DTIC Science & Technology

1992-03-01

if necessary and identify by biock nunrbet) FEILD GROUP SUBGROUP Il’arunietar uetinkatlUln 19 ABSTRACT (continue on reverse it necessary and identity...model constant ix L,M,N X,Y,Z moment components Lp: •sbc.’.• T’ = sb C . r, - 2 V C, , L, = _sb 2 C 2V C L8,=qsbC 1 , Lw Scale of the turbulence M Vector ...u,v,w X,Y,Z velocity components V Vector velocity V Magnitude of velocity vector w9 Z velocity due to gust X.. x-distance to normal acclerometer X.P x

4-Phenylbutyric acid reduces endoplasmic reticulum stress, trypsin activation, and acinar cell apoptosis while increasing secretion in rat pancreatic acini.

PubMed

Malo, Antje; Krüger, Burkhard; Göke, Burkhard; Kubisch, Constanze H

2013-01-01

Endoplasmic reticulum (ER) stress leads to misfolded proteins inside the ER and initiates unfolded protein response (UPR). Unfolded protein response components are involved in pancreatic function and activated during pancreatitis. However, the exact role of ER stress in the exocrine pancreas is unclear. The present study examined the effects of 4-phenylbutyric acid (4-PBA), an ER chaperone, on acini and UPR components. Rat acini were stimulated with cholecystokinin (10 pmol/L to 10 nmol/L) with or without preincubation of 4-PBA. The UPR components were analyzed, including chaperone-binding protein, protein kinaselike ER kinase, X-box-binding protein 1, c-Jun NH(2)-terminal kinase, CCAAT/enhancer-binding protein homologous protein, caspase 3, and apoptosis. Effects of 4-PBA were measured on secretion, calcium, and trypsin activation. 4-Phenylbutyric acid led to an increase of secretion, whereas trypsin activation with supraphysiological cholecystokinin was significantly reduced. 4-Phenylbutyric acid prevented chaperone-binding protein up-regulation, diminished protein kinaselike ER kinase, and c-Jun NH2-terminal kinase phosphorylation, prohibited X-box-binding protein 1 splicing and CCAAT/enhancer-binding protein homologous protein expression, caspase 3 activation, and apoptosis caused by supraphysiological cholecystokinin. By incubation with 4-PBA, beneficial in urea cycle deficiency, it was possible to enhance enzyme secretion to suppress trypsin activation, UPR activation, and proapoptotic pathways. The data hint new perspectives for the use of chemical chaperones in pancreatic diseases.

Approximate analytic solutions to coupled nonlinear Dirac equations

DOE PAGES

Khare, Avinash; Cooper, Fred; Saxena, Avadh

2017-01-30

Here, we consider the coupled nonlinear Dirac equations (NLDEs) in 1+11+1 dimensions with scalar–scalar self-interactions g 1 2/2(more » $$\\bar{ψ}$$ψ) 2 + g 2 2/2($$\\bar{Φ}$$Φ) 2 + g 2 3($$\\bar{ψ}$$ψ)($$\\bar{Φ}$$Φ) as well as vector–vector interactions g 1 2/2($$\\bar{ψ}$$γμψ)($$\\bar{ψ}$$γμψ) + g 2 2/2($$\\bar{Φ}$$γμΦ)($$\\bar{Φ}$$γμΦ) + g 2 3($$\\bar{ψ}$$γμψ)($$\\bar{Φ}$$γμΦ). Writing the two components of the assumed rest frame solution of the coupled NLDE equations in the form ψ=e –iω1tR 1cosθ,R 1sinθΦ=e –iω2tR 2cosη,R 2sinη, and assuming that θ(x),η(x) have the same functional form they had when g3 = 0, which is an approximation consistent with the conservation laws, we then find approximate analytic solutions for Ri(x) which are valid for small values of g 3 2/g 2 2 and g 3 2/g 1 2. In the nonrelativistic limit we show that both of these coupled models go over to the same coupled nonlinear Schrödinger equation for which we obtain two exact pulse solutions vanishing at x → ±∞.« less

Approximate analytic solutions to coupled nonlinear Dirac equations

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

Khare, Avinash; Cooper, Fred; Saxena, Avadh

Here, we consider the coupled nonlinear Dirac equations (NLDEs) in 1+11+1 dimensions with scalar–scalar self-interactions g 1 2/2(more » $$\\bar{ψ}$$ψ) 2 + g 2 2/2($$\\bar{Φ}$$Φ) 2 + g 2 3($$\\bar{ψ}$$ψ)($$\\bar{Φ}$$Φ) as well as vector–vector interactions g 1 2/2($$\\bar{ψ}$$γμψ)($$\\bar{ψ}$$γμψ) + g 2 2/2($$\\bar{Φ}$$γμΦ)($$\\bar{Φ}$$γμΦ) + g 2 3($$\\bar{ψ}$$γμψ)($$\\bar{Φ}$$γμΦ). Writing the two components of the assumed rest frame solution of the coupled NLDE equations in the form ψ=e –iω1tR 1cosθ,R 1sinθΦ=e –iω2tR 2cosη,R 2sinη, and assuming that θ(x),η(x) have the same functional form they had when g3 = 0, which is an approximation consistent with the conservation laws, we then find approximate analytic solutions for Ri(x) which are valid for small values of g 3 2/g 2 2 and g 3 2/g 1 2. In the nonrelativistic limit we show that both of these coupled models go over to the same coupled nonlinear Schrödinger equation for which we obtain two exact pulse solutions vanishing at x → ±∞.« less

Effect of electron-hole asymmetry on optical conductivity in 8 -P m m n borophene

NASA Astrophysics Data System (ADS)

Verma, Sonu; Mawrie, Alestin; Ghosh, Tarun Kanti

2017-10-01

We present a detailed theoretical study of the Drude weight and optical conductivity of 8-P m m n borophene having tilted anisotropic Dirac cones. We provide exact analytical expressions of x x and y y components of the Drude weight as well as maximum optical conductivity. We also obtain exact analytical expressions of the minimum energy (ɛ1) required to trigger the optical transitions and energy (ɛ2) needed to attain maximum optical conductivity. We find that the Drude weight and optical conductivity are highly anisotropic as a consequence of the anisotropic Dirac cone. The optical conductivities have a nonmonotonic behavior with photon energy in the regime between ɛ1 and ɛ2, as a result of the tilted parameter vt. The tilted parameter can be extracted by knowing ɛ1 and ɛ2 from optical measurements. The maximum values of the components of the optical conductivity do not depend on the carrier density and the tilted parameter. The product of the maximum values of the anisotropic conductivities has the universal value (e2/4ℏ ) 2. The tilted anisotropic Dirac cones in 8-P m m n borophene can be realized by the optical conductivity measurement.

QSO Broad Emission Line Asymmetries: Evidence of Gravitational Redshift?

NASA Astrophysics Data System (ADS)

Corbin, Michael R.

1995-07-01

The broad optical and ultraviolet emission lines of QSOs and active galactic nuclei (AGNs) display both redward and blueward asymmetries. This result is particularly well established for Hβ and C IV λ1549, and it has been found that Hβ becomes increasingly redward asymmetric with increasing soft X-ray luminosity. Two models for the origin of these asymmetries are investigated: (1) Anisotropic line emission from an ensemble of radially moving clouds, and (2) Two-component profiles consisting of a core of intermediate (˜1000-4000 km s-1) velocity width and a very broad (˜5000-20,000 km s-1) base, in which the asymmetries arise due to a velocity difference between the centroids of the components. The second model is motivated by the evidence that the traditional broad-line region is actually composed of an intermediate-line region (ILR) of optically thick clouds and a very broad line region (VBLR) of optically thin clouds lying closer to the central continuum source. Line profiles produced by model (1) are found to be inconsistent with those observed, being asymmetric mainly in their cores, whereas the asymmetries of actual profiles arise mainly from excess emission in their wings. By contrast, numerical fitting to actual Hβ and C IV λ1549 line profiles reveals that the majority can be accurately modeled by two components, either two Gaussians or the combination of a Gaussian base and a logarithmic core. The profile asymmetries in Hβ can be interpreted as arising from a shift of the base component over a range ˜6300 km s-1 relative to systemic velocity as defined by the position of the [O III] λ5007 line. A similar model appears to apply to C IV λ1549. The correlation between Hβ asymmetry and X-ray luminosity may thus be interpreted as a progressive red- shift of the VBLR velocity centroid relative to systemic velocity with increasing X-ray luminosity. This in turn suggests that the underlying effect is gravitational red shift, as soft X-ray emission arises from a region ˜ light-minutes in size and arguably traces the mass of the putative supermassive black hole. Depending on the size of the VBLR and the exact amount of its profile centroid shift, central masses in the range 109-10 Msun are implied for the objects displaying the strongest redward profile asymmetries, consistent with other estimates. The largest VBLR velocity dispersions measured from the two-component modeling are ˜20,000 km s-1, which also yields a virial mass ˜109 Msun for a VBLR size 0.1 pc. The gravitational redshift model does not explain the origin of the blueshift of the VBLR emission among low X-ray luminosity sources, however. This must be interpreted as arising from a competing effect such as electron scattering of line photons in the vicinity of the VBLR. On average, radio-loud objects have redward asymmetric broad-line profiles and stronger intermediate- and narrow-line emission than radio-quiet objects of comparable optical luminosity. Under the gravitational redshift model these differences may be interpreted as the result of black hole and host galaxy masses that are larger on average among the former class, consistent with the evidence that they are merger products.

A study of 2-20 KeV X-rays from the Cygnus region

NASA Technical Reports Server (NTRS)

Bleach, R. D.

1972-01-01

Two rocket-borne proportional counters, each with 650 sq c, met area and 1.8 x 7.1 deg FWHM rectangular mechanical collimation, surveyed the Cygnus region in the 2 to 20 keV energy range on two occasions. X-ray spectral data gathered on 21 September 1970 from discrete sources in Cygnus are presented. The data from Cyg X-1, Cyg X-2, and Cyg X-3 have sufficient statistical significance to indicate mutually exclusive spectral forms for the three. Upper limits are presented for X-ray intensities above 2 keV for Cyg X-4 and Cyg X-5 (Cygnus loop). A search was made on 9 August 1971 for a diffuse component of X-rays 1.5 keV associated with an interarm region of the galaxy at galactic longitudes in the vicinity of 60 degrees. A statistically significant excess associated with a narrow disk component was detected. Several possible emission models are discussed, with the most likely candidate being a population of unresolvable low luminosity discrete sources.

Gaussian basis sets for use in correlated molecular calculations. XI. Pseudopotential-based and all-electron relativistic basis sets for alkali metal (K-Fr) and alkaline earth (Ca-Ra) elements

NASA Astrophysics Data System (ADS)

Hill, J. Grant; Peterson, Kirk A.

2017-12-01

New correlation consistent basis sets based on pseudopotential (PP) Hamiltonians have been developed from double- to quintuple-zeta quality for the late alkali (K-Fr) and alkaline earth (Ca-Ra) metals. These are accompanied by new all-electron basis sets of double- to quadruple-zeta quality that have been contracted for use with both Douglas-Kroll-Hess (DKH) and eXact 2-Component (X2C) scalar relativistic Hamiltonians. Sets for valence correlation (ms), cc-pVnZ-PP and cc-pVnZ-(DK,DK3/X2C), in addition to outer-core correlation [valence + (m-1)sp], cc-p(w)CVnZ-PP and cc-pwCVnZ-(DK,DK3/X2C), are reported. The -PP sets have been developed for use with small-core PPs [I. S. Lim et al., J. Chem. Phys. 122, 104103 (2005) and I. S. Lim et al., J. Chem. Phys. 124, 034107 (2006)], while the all-electron sets utilized second-order DKH Hamiltonians for 4s and 5s elements and third-order DKH for 6s and 7s. The accuracy of the basis sets is assessed through benchmark calculations at the coupled-cluster level of theory for both atomic and molecular properties. Not surprisingly, it is found that outer-core correlation is vital for accurate calculation of the thermodynamic and spectroscopic properties of diatomic molecules containing these elements.

High-sensitivity survey of a pole-on disk-jet system around high mass YSOs

NASA Astrophysics Data System (ADS)

Motogi, Kazuhito; Walsh, Andrew; Hirota, Tomoya; Niinuma, Kotaro; Sugiyama, Koichiro; Fujisawa, Kenta; Yonekura, Yoshinori; Honma, Mareki; Sorai, Kazuo

2013-10-01

Recent theoretical works have suggested that detailed evolution of a high mass protostellar object highly depends on effective accretion rate and exact accretion geometry. Observational studies of the innermost accretion properties are, thus, an essential task in the ALMA era. High mass protostellar objects with a pole-on disk-jet system are, hence, excellent targets for such a study, since an outflow cavity reduces the total optical depth along the line-of-sight. Our previous studies have shown that some singular water maser sources called dominant blue-shifted masers (DBSMs) are plausible candidates of pole-on disk jet systems. There are, however, still two major problems as follows, (1) Some DBSMs can be a "fake", because of the significant variability of water masers. (2) It is difficult to verify the sources are really in pole-on geometry. The first problems can be checked with the thermal counterparts, and the second problem can be tested by morphologies of the class II CH3OH maser sources. We propose a high-sensitivity survey of real “pole-on” disk-jet systems towards the southern ten DBSMs. This new survey consists of multi-band observations between C/X/K/W bands. We will start from the C/X-continuum survey in this semester. Scientific goals in this semester are, (1) surveying radio jet activities with the C/X continuum emission, (2) estimating the inclination angle of disk-jet systems based on the morphologies of the CH3OH maser spots. (3) determining the exact positions of driving sources.

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

Maier, J. P.; Mazzotti, F. J.; Raghunandan, R.

We present strong evidence that the broad, diffuse interstellar bands (DIBs) at 4881 and 5450 A are caused by the B{sup 1} B{sub 1} <- X{sup 1} A{sub 1} transition of H{sub 2}CCC (l-C{sub 3}H{sub 2}). The large widths of the bands are due to the short lifetime of the B{sup 1} B{sub 1} electronic state. The bands are predicted from absorption measurements in a neon matrix and observed by cavity ring-down in the gas phase and show exact matches to the profiles and wavelengths of the two broad DIBs. The strength of the 5450 A DIB leads to amore » l-C{sub 3}H{sub 2} column density of {approx}5 x 10{sup 14} cm{sup -2} toward HD 183143 and {approx}2 x 10{sup 14} cm{sup -2} to HD 206267. Despite similar values of E(B - V), the 4881 and 5450 A DIBs in HD 204827 are less than one-third their strength in HD 183143, while the column density of interstellar C{sub 3} is unusually high for HD 204827 but undetectable for HD 183143. This can be understood if C{sub 3} has been depleted by hydrogenation to species such as l-C{sub 3}H{sub 2} toward HD 183143. There are also three rotationally resolved sets of triplets of l-C{sub 3}H{sub 2} in the 6150-6330 A region. Simulations, based on the derived spectroscopic constants and convolved with the expected instrumental and interstellar line broadening, show credible coincidences with sharp, weak DIBs for the two observable sets of triplets. The region of the third set is too obscured by the {alpha}-band of telluric O{sub 2}.« less

Improved measurements of two-photon widths of the χ c J states and helicity analysis for χ c 2 → γ γ

DOE PAGES

Ablikim, M.; Achasov, M. N.; Ahmed, S.; ...

2017-11-28

Based on 448.1 x 10 6 ψ(3686) events collected with the BESIII detector, the decays ψ(3686) → γχ cJ,χ cJ → γγ(J = 0,1,2) are studied in this paper. The decay branching fractions of χ c0,2 → γγ are measured to be β(χ c0 → γγ) = (1.93 ± 0.08 ± 0.05 ± 0.05) x 10 -4 and β(χ c2 → γγ) = (3.10 ± 0.09 ± 0.07 ± 0.11) x 10 -4, which correspond to two-photon decay widths of Γ γγ(χ c0) = 2.03 ± 0.08 ± 0.06 ± 0.13 keV and Γ γγ(χ c2) = 0.60 ± 0.02more » ± 0.01 ± 0.04 keV with a ratio of R = Γ γγ(χ c2)/Γ γγ(χ c0) = 0.295 ± 0.014 ± 0.007 ± 0.027, where the uncertainties are statistical, systematic and associated with the uncertainties of β(ψ(3686) → γχ c0,2) and the total widths Γ(χ c0,2), respectively. For the forbidden decay of χ c1 → γγ, no signal is observed, and an upper limit on the two-photon width is obtained to be Γ γγ(χ c1) < 5.3 eV at the 90% confidence level. Finally, the ratio of the two-photon widths between helicity-zero and helicity-two components in the decay χ c2 → γγ is also measured to be f 0/2 = Γ λ=0 γγ(χ c2)/Γ λ=2 γγ(χ c2) = (0.0 ± 0.6 ± 1.2) x 10 -2, where the uncertainties are statistical and systematic, respectively.« less

Crystallization and initial crystallographic characterization of the Corynebacterium glutamicum nitrilotriacetate monooxygenase component A

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

Kim, Kyung-Jin, E-mail: kkj@postech.ac.kr; Kim, Sujin; Lee, Sujin

2006-11-01

The Corynebacterium glutamicum NTA monooxygenase component A protein, which plays the central role in NTA biodegradation, was crystallized. The initial X-ray crystallographic characterization is reported. Safety and environmental concerns have recently dictated the proper disposal of nitrilotriacetate (NTA). Biodegradation of NTA is initiated by NTA monooxygenase, which is composed of two proteins: component A and component B. The NTA monooxygenase component A protein from Corynebacterium glutamicum was crystallized using the sitting-drop vapour-diffusion method in the presence of ammonium sulfate as the precipitant. X-ray diffraction data were collected to a maximum resolution of 2.5 Å on a synchrotron beamline. The crystalmore » belongs to the monoclinic space group C2, with unit-cell parameters a = 111.04, b = 98.51, c = 171.61 Å, β = 101.94°. The asymmetric unit consists of four molecules, corresponding to a packing density of 2.3 Å{sup 3} Da{sup −1}. The structure was solved by molecular replacement. Structure refinement is in progress.« less

Preliminary X-ray crystallographic studies of a tetrameric phospholipase A{sub 2} formed by two isoforms of crotoxin B from Crotalus durissus terrificus venom

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

Marchi-Salvador, D. P.; Corrêa, L. C.; Salvador, G. H. M.

2007-12-01

Crotoxin B is a basic phospholipase A{sub 2} found in the venom of C. durissus terrificus and is one of the subunits that constitute crotoxin. Here, the crystallization, X-ray diffraction data collection and molecular-replacement solution of a novel tetrameric complex formed by two dimers of crotoxin B isoforms are presented. Crotoxin B is a basic phospholipase A{sub 2} found in the venom of Crotalus durissus terrificus and is one of the subunits that constitute crotoxin. This heterodimeric toxin, which is the main component of C. d. terrificus venom, is completed by an acidic, nontoxic and non-enzymatic component (crotoxin A) andmore » is involved in important envenomation effects, such as neurological disorders, myotoxicity and renal failure. Although crotoxin was first crystallized in 1938, no crystal structure is currently available for crotoxin, crotoxin A or crotoxin B. In this work, the crystallization, X-ray diffraction data collection to 2.28 Å resolution and molecular-replacement solution of a novel tetrameric complex formed by two dimers of crotoxin B isoforms (CB1 and CB2) is presented.« less

The Pearson walk with shrinking steps in two dimensions

NASA Astrophysics Data System (ADS)

Serino, C. A.; Redner, S.

2010-01-01

We study the shrinking Pearson random walk in two dimensions and greater, in which the direction of the Nth step is random and its length equals λN-1, with λ<1. As λ increases past a critical value λc, the endpoint distribution in two dimensions, P(r), changes from having a global maximum away from the origin to being peaked at the origin. The probability distribution for a single coordinate, P(x), undergoes a similar transition, but exhibits multiple maxima on a fine length scale for λ close to λc. We numerically determine P(r) and P(x) by applying a known algorithm that accurately inverts the exact Bessel function product form of the Fourier transform for the probability distributions.

High Color Rendering Index White-Light Emission from UV-Driven LEDs Based on Single Luminescent Materials: Two-Dimensional Perovskites (C6H5C2H4NH3)2PbBr xCl4- x.

PubMed

Yang, Shuming; Lin, Zhenghuan; Wang, Jingwei; Chen, Yunxiang; Liu, Zhengde; Yang, E; Zhang, Jian; Ling, Qidan

2018-05-09

Two-dimensional (2D) white-light-emitting hybrid perovskites (WHPs) are promising active materials for single-component white-light-emitting diodes (WLEDs) driven by UV. However, the reported WHPs exhibit low quantum yields (≤9%) and low color rendering index (CRI) values less than 85, which does not satisfy the demand of solid-state lighting applications. In this work, we report a series of mixed-halide 2D layered WHPs (C 6 H 5 C 2 H 4 NH 3 ) 2 PbBr x Cl 4- x (0 < x < 4) obtained from the phenethylammonium cation. Unlike the reported WHPs including (C 6 H 5 C 2 H 4 NH 3 ) 2 PbCl 4 , the mixed-halide perovskites display morphology-dependent white emission for the different extents of self-absorption. Additionally, the amount of Br has a huge influence on the photophysical properties of mixed-halide WHPs. With the increasing content of Br, the quantum yields of WHPs increase gradually from 0.2 to 16.9%, accompanied by tunable color temperatures ranging from 4000 K ("warm" white light) to 7000 K ("cold" white light). When applied to the WLEDs, the mixed-halide perovskite powders exhibit tunable white electroluminescent emission with very high CRI of 87-91.

Crystal Structure of Two V-shaped Ligands with N-Heterocycles

NASA Astrophysics Data System (ADS)

Wang, Gao-Feng; Sun, Shu-Wen; Zhang, Xiao; Sun, Shu-Gang

2017-12-01

Two V-shaped ligands with N-heterocycles, bis(4-(1 H-imidazol-1-yl) phenyl)methanone ( 1), and bis(4-(1 H-benzo[d]imidazol-1-yl)phenyl)methanone ( 2) have been synthesized and characterized by elemental analyses, IR and 1 H NMR spectroscopy. Crystal structures of 1 and 2 have been determined by X-ray diffraction. The crystal of 1 is monoclinic, sp. gr. P21/ c, Z = 4. The crystal of 2 is orthorhombic, sp. gr. Fdd2, Z = 8. X-ray diffraction analyses show that the V-shaped angles of 1 and 2 are 122.72(15)° and 120.7(4)°, respectively. Intermolecular C-H···O, C-H···N, C-H···π, and π···π interactions link the components into three-dimensional networks in the crystal structures.

Practical Applicability of Exact and Approximate Forms of the Randomization Test for Two Independent Samples.

DTIC Science & Technology

1987-09-01

long been recognized as powerful nonparametric statistical methods since the introduction of the principal ideas by R.A. Fisher in 1935 . Even when...couldIatal eoand1rmSncepriet ::’x.OUld st:ll have to he - epre -erte-.. I-Itma’v in any: ph,:sIcal computing devl’:c by a C\\onux ot bit,Aa n. the

Electronic Structure Approach to Tunable Electronic Properties of Hybrid Organic-Inorganic Perovskites

NASA Astrophysics Data System (ADS)

Liu, Garnett; Huhn, William; Mitzi, David B.; Kanai, Yosuke; Blum, Volker

We present a study of the electronic structure of layered hybrid organic-inorganic perovskite (HOIP) materials using all-electron density-functional theory. Varying the nature of the organic and inorganic layers should enable systematically fine-tuning the carrier properties of each component. Using the HSE06 hybrid density functional including spin-orbit coupling (SOC), we validate the principle of tuning subsystem-specific parts of the electron band structures and densities of states in CH3NH3PbX3 (X=Cl, Br, I) compared to a modified organic component in layered (C6H5C2H4NH3) 2PbX4 (X=Cl, Br, I) and C20H22S4N2PbX4 (X=Cl, Br, I). We show that tunable shifts of electronic levels indeed arise by varying Cl, Br, I as the inorganic components, and CH3NH3+ , C6H5C2H4NH3+ , C20H22S4N22 + as the organic components. SOC is found to play an important role in splitting the conduction bands of the HOIP compounds investigated here. The frontier orbitals of the halide shift, increasing the gap, when Cl is substituted for Br and I.

A direct connection between quantum Hall plateaus and exact pair states in a 2D electron gas

NASA Astrophysics Data System (ADS)

Hai, Wenhua; Li, Zejun; Xiao, Kewen

2011-12-01

It is previously found that the two-dimensional (2D) electron-pair in a homogeneous magnetic field has a set of exact solutions for a denumerably infinite set of magnetic fields. Here we demonstrate that as a function of magnetic field a band-like structure of energy associated with the exact pair states exists. A direct and simple connection between the pair states and the quantum Hall effect is revealed by the band-like structure of the hydrogen "pseudo-atom". From such a connection one can predict the sites and widths of the integral and fractional quantum Hall plateaus for an electron gas in a GaAs-Al x Ga1- x As heterojunction. The results are in good agreement with the existing experimental data.

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

Ablikim, M.; Achasov, M. N.; Ahmed, S.

Based on 448.1 x 10 6 ψ(3686) events collected with the BESIII detector, the decays ψ(3686) → γχ cJ,χ cJ → γγ(J = 0,1,2) are studied in this paper. The decay branching fractions of χ c0,2 → γγ are measured to be β(χ c0 → γγ) = (1.93 ± 0.08 ± 0.05 ± 0.05) x 10 -4 and β(χ c2 → γγ) = (3.10 ± 0.09 ± 0.07 ± 0.11) x 10 -4, which correspond to two-photon decay widths of Γ γγ(χ c0) = 2.03 ± 0.08 ± 0.06 ± 0.13 keV and Γ γγ(χ c2) = 0.60 ± 0.02more » ± 0.01 ± 0.04 keV with a ratio of R = Γ γγ(χ c2)/Γ γγ(χ c0) = 0.295 ± 0.014 ± 0.007 ± 0.027, where the uncertainties are statistical, systematic and associated with the uncertainties of β(ψ(3686) → γχ c0,2) and the total widths Γ(χ c0,2), respectively. For the forbidden decay of χ c1 → γγ, no signal is observed, and an upper limit on the two-photon width is obtained to be Γ γγ(χ c1) < 5.3 eV at the 90% confidence level. Finally, the ratio of the two-photon widths between helicity-zero and helicity-two components in the decay χ c2 → γγ is also measured to be f 0/2 = Γ λ=0 γγ(χ c2)/Γ λ=2 γγ(χ c2) = (0.0 ± 0.6 ± 1.2) x 10 -2, where the uncertainties are statistical and systematic, respectively.« less

Uniform Recovery Bounds for Structured Random Matrices in Corrupted Compressed Sensing

NASA Astrophysics Data System (ADS)

Zhang, Peng; Gan, Lu; Ling, Cong; Sun, Sumei

2018-04-01

We study the problem of recovering an $s$-sparse signal $\\mathbf{x}^{\\star}\\in\\mathbb{C}^n$ from corrupted measurements $\\mathbf{y} = \\mathbf{A}\\mathbf{x}^{\\star}+\\mathbf{z}^{\\star}+\\mathbf{w}$, where $\\mathbf{z}^{\\star}\\in\\mathbb{C}^m$ is a $k$-sparse corruption vector whose nonzero entries may be arbitrarily large and $\\mathbf{w}\\in\\mathbb{C}^m$ is a dense noise with bounded energy. The aim is to exactly and stably recover the sparse signal with tractable optimization programs. In this paper, we prove the uniform recovery guarantee of this problem for two classes of structured sensing matrices. The first class can be expressed as the product of a unit-norm tight frame (UTF), a random diagonal matrix and a bounded columnwise orthonormal matrix (e.g., partial random circulant matrix). When the UTF is bounded (i.e. $\\mu(\\mathbf{U})\\sim1/\\sqrt{m}$), we prove that with high probability, one can recover an $s$-sparse signal exactly and stably by $l_1$ minimization programs even if the measurements are corrupted by a sparse vector, provided $m = \\mathcal{O}(s \\log^2 s \\log^2 n)$ and the sparsity level $k$ of the corruption is a constant fraction of the total number of measurements. The second class considers randomly sub-sampled orthogonal matrix (e.g., random Fourier matrix). We prove the uniform recovery guarantee provided that the corruption is sparse on certain sparsifying domain. Numerous simulation results are also presented to verify and complement the theoretical results.

Coupled harmonic oscillators and their quantum entanglement

NASA Astrophysics Data System (ADS)

Makarov, Dmitry N.

2018-04-01

A system of two coupled quantum harmonic oscillators with the Hamiltonian H ̂=1/2 (1/m1p̂1 2+1/m2p̂2 2+A x12+B x22+C x1x2) can be found in many applications of quantum and nonlinear physics, molecular chemistry, and biophysics. The stationary wave function of such a system is known, but its use for the analysis of quantum entanglement is complicated because of the complexity of computing the Schmidt modes. Moreover, there is no exact analytical solution to the nonstationary Schrodinger equation H ̂Ψ =i ℏ ∂/Ψ ∂ t and Schmidt modes for such a dynamic system. In this paper we find a solution to the nonstationary Schrodinger equation; we also find in an analytical form a solution to the Schmidt mode for both stationary and dynamic problems. On the basis of the Schmidt modes, the quantum entanglement of the system under consideration is analyzed. It is shown that for certain parameters of the system, quantum entanglement can be very large.

Spin-component-scaled Møller-Plesset (SCS-MP) perturbation theory: a generalization of the MP approach with improved properties.

PubMed

Fink, Reinhold F

2010-11-07

A rigorous perturbation theory is proposed, which has the same second order energy as the spin-component-scaled Møller-Plesset second order (SCS-MP2) method of Grimme [J. Chem. Phys. 118, 9095 (2003)]. This upgrades SCS-MP2 to a systematically improvable, true wave-function-based method. The perturbation theory is defined by an unperturbed Hamiltonian, Ĥ(0), that contains the ordinary Fock operator and spin operators Ŝ(2) that act either on the occupied or the virtual orbital spaces. Two choices for Ĥ(0) are discussed and the importance of a spin-pure Ĥ((0)) is underlined. Like the SCS-MP2 approach, the theory contains two parameters (c(os) and c(ss)) that scale the opposite-spin and the same-spin contributions to the second order perturbation energy. It is shown that these parameters can be determined from theoretical considerations by a Feenberg scaling approach or a fit of the wave functions from the perturbation theory to the exact one from a full configuration interaction calculation. The parameters c(os)=1.15 and c(ss)=0.75 are found to be optimal for a reasonable test set of molecules. The meaning of these parameters and the consequences following from a well defined improved MP method are discussed.

Critical 2-D Percolation: Crossing Probabilities, Modular Forms and Factorization

NASA Astrophysics Data System (ADS)

Kleban, Peter

2007-03-01

We first consider crossing probabilities in critical 2-D percolation in rectangular geometries, derived via conformal field theory. These quantities are shown to exhibit interesting modular behavior [1], although the physical meaning of modular transformations in this context is not clear. We show that in many cases these functions are completely characterized by very simple transformation properties. In particular, Cardy's function for the percolation crossing probability (including the conformal dimension 1/3), follows from a simple modular argument. We next consider the probability of crossing between various points for percolation in the upper half-plane. For two points, with the point x an edge of the system, the probability is P(x,z)= k 1y^5/48 φ(x,z)^1/3 where φ is the potential at z of a 2-D dipole located at x, and k is a non-universal constant. For three points, one finds the exact and universal factorization [2,3] P(x1,x2,z)= C ; √P(x1,z)P(x2,z)P(x1,x2) with C= 8 √2; &5/2circ;3^3/4 ; γ(1/3)^9/2. These results are calculated by use of conformal field theory. Computer simulations verify them very precisely. Furthermore, simulations show that the same factorization holds asymptotically, with the same value of C, when one or both of the points xi are moved from the edge into the bulk.1.) Peter Kleban and Don Zagier, Crossing probabilities and modular forms, J. Stat. Phys. 113, 431-454 (2003) [arXiv: math-ph/0209023].2.) Peter Kleban, Jacob J. H. Simmons, and Robert M. Ziff, Anchored critical percolation clusters and 2-d electrostatics, Phys. Rev. Letters 97,115702 (2006) [arXiv: cond-mat/0605120].3.) Jacob J. H. Simmons and Peter Kleban, in preparation.

The MEPUC concept adapts the C-arm fluoroscope to image-guided surgery.

PubMed

Suhm, Norbert; Müller, Paul; Bopp, Urs; Messmer, Peter; Regazzoni, Pietro

2004-06-01

Image-guided surgery requires surgeons to be able to manipulate the imaging modality themselves and without delay. Intraoperative fluoroscopic imaging does not meet this requirement as the C-arm fluoroscope cannot be operated or positioned by the surgeons themselves. The Motorized Exact Positioning Unit for C-arm (MEPUC) concept aims to optimize the workflow of positioning the C-arm fluoroscope. The hardware component of the MEPUC equips the fluoroscope with electric stepping motors. The software component allows the surgeon to control the fluoroscope's movements. The study presented here showed that translational movements within the x-y plane are most frequently performed when positioning the C-arm fluoroscope. Furthermore, reproducing a former projection was found to be a frequent task during image-guided procedures. In our opinion, the MEPUC concept adapts the fluoroscope to image-guided surgery. The most important improvement being definition of a bidirectional data exchange between the surgeon and the C-arm fluoroscope: positioning data from the surgeon to the C-arm fluoroscope and-subsequently-image information from C-arm fluoroscope to the surgeon.

Grazing-incidence X-ray diffraction from a crystal with subsurface defects

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

Gaevskii, A. Yu., E-mail: transilv@mail.ru; Golentus, I. E.

2015-03-15

The diffraction of X rays incident on a crystal surface under grazing angles under conditions of total external reflection has been investigated. An approach is proposed in which exact solutions to the dynamic problem of grazing-incidence diffraction in an ideal crystal are used as initial functions to calculate the diffuse component of diffraction in a crystal with defects. The diffuse component of diffraction is calculated for a crystal with surface defects of a dilatation-center type. Exact formulas of the continuum theory which take into account the mirror-image forces are used for defect-induced atomic displacements. Scattering intensity maps near Bragg peaksmore » are constructed for different scan modes, and the conditions for detecting primarily the diffuse component are determined. The results of dynamic calculations of grazing-incidence diffraction in defect-containing crystals are compared with calculations in the kinematic approximation.« less

An improved plate theory of order (1,2) for thick composite laminates

NASA Technical Reports Server (NTRS)

Tessler, A.

1992-01-01

A new (1,2)-order theory is proposed for the linear elasto-static analysis of laminated composite plates. The basic assumptions are those concerning the distribution through the laminate thickness of the displacements, transverse shear strains and the transverse normal stress, with these quantities regarded as some weighted averages of their exact elasticity theory representations. The displacement expansions are linear for the inplane components and quadratic for the transverse component, whereas the transverse shear strains and transverse normal stress are respectively quadratic and cubic through the thickness. The main distinguishing feature of the theory is that all strain and stress components are expressed in terms of the assumed displacements prior to the application of a variational principle. This is accomplished by an a priori least-square compatibility requirement for the transverse strains and by requiring exact stress boundary conditions at the top and bottom plate surfaces. Equations of equilibrium and associated Poisson boundary conditions are derived from the virtual work principle. It is shown that the theory is particularly suited for finite element discretization as it requires simple C(sup 0)- and C(sup -1)-continuous displacement interpolation fields. Analytic solutions for the problem of cylindrical bending are derived and compared with the exact elasticity solutions and those of our earlier (1,2)-order theory based on the assumed displacements and transverse strains.

The massive binary CPD - 41° 7742. II. Optical light curve and X-ray observations

NASA Astrophysics Data System (ADS)

Sana, H.; Antokhina, E.; Royer, P.; Manfroid, J.; Gosset, E.; Rauw, G.; Vreux, J.-M.

2005-10-01

In the first paper of this series, we presented a detailed high-resolution spectroscopic study of CPD - 41° 7742, deriving for the first time an orbital solution for both components of the system. In this second paper, we focus on the analysis of the optical light curve and on recent XMM-Newton X-ray observations. In the optical, the system presents two eclipses, yielding an inclination i˜77°. Combining the constraints from the photometry with the results of our previous work, we derive the absolute parameters of the system. We confirm that the two components of CPD - 41° 7742 are main sequence stars (O9 V + B1-1.5 V) with masses (M_1˜18 M⊙ and M_2˜10 M⊙) and respective radii (R_1˜7.5 R⊙ and R_2˜5.4 R⊙) close to the typical values expected for such stars. We also report an unprecedented set of X-ray observations that almost uniformly cover the 2.44-day orbital cycle. The X-ray emission from CPD - 41° 7742 is well described by a two-temperature thermal plasma model with energies close to 0.6 and 1.0 keV, thus slightly harder than typical early-type emission. The X-ray light curve shows clear signs of variability. The emission level is higher when the primary is in front of the secondary. During the high emission state, the system shows a drop of its X-ray emission that almost exactly matches the optical eclipse. We interpret the main features of the X-ray light curve as the signature of a wind-photosphere interaction, in which the overwhelming primary O9 star wind crashes into the secondary surface. Alternatively the light curve could result from a wind-wind interaction zone located near the secondary star surface. As a support to our interpretation, we provide a phenomenological geometric model that qualitatively reproduces the observed modulations of the X-ray emission.

A memory-efficient data structure representing exact-match overlap graphs with application for next-generation DNA assembly.

PubMed

Dinh, Hieu; Rajasekaran, Sanguthevar

2011-07-15

Exact-match overlap graphs have been broadly used in the context of DNA assembly and the shortest super string problem where the number of strings n ranges from thousands to billions. The length ℓ of the strings is from 25 to 1000, depending on the DNA sequencing technologies. However, many DNA assemblers using overlap graphs suffer from the need for too much time and space in constructing the graphs. It is nearly impossible for these DNA assemblers to handle the huge amount of data produced by the next-generation sequencing technologies where the number n of strings could be several billions. If the overlap graph is explicitly stored, it would require Ω(n(2)) memory, which could be prohibitive in practice when n is greater than a hundred million. In this article, we propose a novel data structure using which the overlap graph can be compactly stored. This data structure requires only linear time to construct and and linear memory to store. For a given set of input strings (also called reads), we can informally define an exact-match overlap graph as follows. Each read is represented as a node in the graph and there is an edge between two nodes if the corresponding reads overlap sufficiently. A formal description follows. The maximal exact-match overlap of two strings x and y, denoted by ov(max)(x, y), is the longest string which is a suffix of x and a prefix of y. The exact-match overlap graph of n given strings of length ℓ is an edge-weighted graph in which each vertex is associated with a string and there is an edge (x, y) of weight ω=ℓ-|ov(max)(x, y)| if and only if ω ≤ λ, where |ov(max)(x, y)| is the length of ov(max)(x, y) and λ is a given threshold. In this article, we show that the exact-match overlap graphs can be represented by a compact data structure that can be stored using at most (2λ-1)(2⌈logn⌉+⌈logλ⌉)n bits with a guarantee that the basic operation of accessing an edge takes O(log λ) time. We also propose two algorithms for constructing the data structure for the exact-match overlap graph. The first algorithm runs in O(λℓnlogn) worse-case time and requires O(λ) extra memory. The second one runs in O(λℓn) time and requires O(n) extra memory. Our experimental results on a huge amount of simulated data from sequence assembly show that the data structure can be constructed efficiently in time and memory. Our DNA sequence assembler that incorporates the data structure is freely available on the web at http://www.engr.uconn.edu/~htd06001/assembler/leap.zip

Correlation consistent basis sets for actinides. II. The atoms Ac and Np-Lr

NASA Astrophysics Data System (ADS)

Feng, Rulin; Peterson, Kirk A.

2017-08-01

New correlation consistent basis sets optimized using the all-electron third-order Douglas-Kroll-Hess (DKH3) scalar relativistic Hamiltonian are reported for the actinide elements Ac and Np through Lr. These complete the series of sets reported previously for Th-U [K. A. Peterson, J. Chem. Phys. 142, 074105 (2015); M. Vasiliu et al., J. Phys. Chem. A 119, 11422 (2015)]. The new sets range in size from double- to quadruple-zeta and encompass both those optimized for valence (6s6p5f7s6d) and outer-core electron correlations (valence + 5s5p5d). The final sets have been contracted for both the DKH3 and eXact 2-component (X2C) Hamiltonians, yielding cc-pVnZ-DK3/cc-pVnZ-X2C sets for valence correlation and cc-pwCVnZ-DK3/cc-pwCVnZ-X2C sets for outer-core correlation (n = D, T, Q in each case). In order to test the effectiveness of the new basis sets, both atomic and molecular benchmark calculations have been carried out. In the first case, the first three atomic ionization potentials (IPs) of all the actinide elements Ac-Lr have been calculated using the Feller-Peterson-Dixon (FPD) composite approach, primarily with the multireference configuration interaction (MRCI) method. Excellent convergence towards the respective complete basis set (CBS) limits is achieved with the new sets, leading to good agreement with experiment, where these exist, after accurately accounting for spin-orbit effects using the 4-component Dirac-Hartree-Fock method. For a molecular test, the IP and atomization energy (AE) of PuO2 have been calculated also using the FPD method but using a coupled cluster approach with spin-orbit coupling accounted for using the 4-component MRCI. The present calculations yield an IP0 for PuO2 of 159.8 kcal/mol, which is in excellent agreement with the experimental electron transfer bracketing value of 162 ± 3 kcal/mol. Likewise, the calculated 0 K AE of 305.6 kcal/mol is in very good agreement with the currently accepted experimental value of 303.1 ± 5 kcal/mol. The ground state of PuO2 is predicted to be the 0 g +5Σ state.

Correlation consistent basis sets for actinides. II. The atoms Ac and Np-Lr.

PubMed

Feng, Rulin; Peterson, Kirk A

2017-08-28

New correlation consistent basis sets optimized using the all-electron third-order Douglas-Kroll-Hess (DKH3) scalar relativistic Hamiltonian are reported for the actinide elements Ac and Np through Lr. These complete the series of sets reported previously for Th-U [K. A. Peterson, J. Chem. Phys. 142, 074105 (2015); M. Vasiliu et al., J. Phys. Chem. A 119, 11422 (2015)]. The new sets range in size from double- to quadruple-zeta and encompass both those optimized for valence (6s6p5f7s6d) and outer-core electron correlations (valence + 5s5p5d). The final sets have been contracted for both the DKH3 and eXact 2-component (X2C) Hamiltonians, yielding cc-pVnZ-DK3/cc-pVnZ-X2C sets for valence correlation and cc-pwCVnZ-DK3/cc-pwCVnZ-X2C sets for outer-core correlation (n = D, T, Q in each case). In order to test the effectiveness of the new basis sets, both atomic and molecular benchmark calculations have been carried out. In the first case, the first three atomic ionization potentials (IPs) of all the actinide elements Ac-Lr have been calculated using the Feller-Peterson-Dixon (FPD) composite approach, primarily with the multireference configuration interaction (MRCI) method. Excellent convergence towards the respective complete basis set (CBS) limits is achieved with the new sets, leading to good agreement with experiment, where these exist, after accurately accounting for spin-orbit effects using the 4-component Dirac-Hartree-Fock method. For a molecular test, the IP and atomization energy (AE) of PuO 2 have been calculated also using the FPD method but using a coupled cluster approach with spin-orbit coupling accounted for using the 4-component MRCI. The present calculations yield an IP 0 for PuO 2 of 159.8 kcal/mol, which is in excellent agreement with the experimental electron transfer bracketing value of 162 ± 3 kcal/mol. Likewise, the calculated 0 K AE of 305.6 kcal/mol is in very good agreement with the currently accepted experimental value of 303.1 ± 5 kcal/mol. The ground state of PuO 2 is predicted to be the Σ0g+5 state.

Development and Applications of Orthogonality Constrained Density Functional Theory for the Accurate Simulation of X-Ray Absorption Spectroscopy

NASA Astrophysics Data System (ADS)

Derricotte, Wallace D.

The aim of this dissertation is to address the theoretical challenges of calculating core-excited states within the framework of orthogonality constrained density functional theory (OCDFT). OCDFT is a well-established variational, time independent formulation of DFT for the computation of electronic excited states. In this work, the theory is first extended to compute core-excited states and generalized to calculate multiple excited state solutions. An initial benchmark is performed on a set of 40 unique core-excitations, highlighting that OCDFT excitation energies have a mean absolute error of 1.0 eV. Next, a novel implementation of the spin-free exact-two-component (X2C) one-electron treatment of scalar relativistic effects is presented and combined with OCDFT in an effort to calculate core excited states of transition metal complexes. The X2C-OCDFT spectra of three organotitanium complexes (TiCl4, TiCpCl3, and TiCp2Cl2) are shown to be in good agreement with experimental results and show a maximum absolute error of 5-6 eV. Next the issue of assigning core excited states is addressed by introducing an automated approach to analyzing the excited state MO by quantifying its local contributions using a unique orbital basis known as localized intrinsic valence virtual orbitals (LIVVOs). The utility of this approach is highlighted by studying sulfur core-excitations in ethanethiol and benzenethiol, as well as the hydrogen bonding in the water dimer. Finally, an approach to selectively target specic core-excited states in OCDFT based on atomic orbital subspace projection is presented in an effort to target core excited states of chemisorbed organic molecules. The core excitation spectrum of pyrazine chemisorbed on Si(100) is calculated using OCDFT and further characterized using the LIVVO approach.

Multicomponent Dark Matter in Radiative Seesaw Models

NASA Astrophysics Data System (ADS)

Aoki, Mayumi; Kaneko, Daiki; Kubo, Jisuke

2017-11-01

We discuss radiative seesaw models, in which an exact Z_2¥times Z_2' symmetry is imposed. Due to the exact Z_2¥times Z_2' symmetry, neutrino masses are generated at a two-loop level and at least two extra stable electrically neutral particles are predicted. We consider two models: one has a multi-component dark matter system and the other one has a dark radiation in addition to a dark matter. In the multi-component dark matter system, non-standard dark matter annihilation processes exist. We find that they play important roles in determining the relic abundance and also responsible for the monochromatic neutrino lines resulting from the dark matter annihilation process. In the model with the dark radiation, the structure of the Yukawa coupling is considerably constrained and gives an interesting relationship among cosmology, lepton flavor violating decay of the charged leptons and the decay of the inert Higgs bosons.

Randomly diluted xy and resistor networks near the percolation threshold

NASA Astrophysics Data System (ADS)

Harris, A. B.; Lubensky, T. C.

1987-05-01

A formulation based on that of Stephen for randomly diluted systems near the percolation threshold is analyzed in detail. By careful consideration of various limiting procedures, a treatment of xy spin models and resistor networks is given which shows that previous calculations (which indicate that these systems having continuous symmetry have the same crossover exponents as the Ising model) are in error. By studying the limit wherein the energy gap goes to zero, we exhibit the mathematical mechanism which leads to qualitatively different results for xy-like as contrasted to Ising-like systems. A distinctive feature of the results is that there is an infinite sequence of crossover exponents needed to completely describe the probability distribution for R(x,x'), the resistance between sites x and x'. Because of the difference in symmetry between the xy model and the resistor network, the former has an infinite sequence of crossover exponents in addition to those of the resistor network. The first crossover exponent φ1=1+ɛ/42 governs the scaling behavior of R(x,x') with ||x-x'||≡r: [R(x,x')]c~xφ1/ν, where [ ]c indicates a conditional average, subject to x and x' being in the same cluster, ν is the correlation length exponent for percolation, and ɛ=6-d, where d is the spatial dimensionality. We give a detailed analysis of the scaling properties of the bulk conductivity and the anomalous diffusion constant introduced by Gefen et al. Our results show conclusively that the Alexander-Orbach conjecture, while numerically quite accurate, is not exact, at least in high spatial dimension. We also evaluate various amplitude ratios associated with susceptibilities, χn involving the nth power of the resistance R(x,x'), e.g., &χ2χ0/χ21=2[1+(19ɛ/420)]. In an appendix we outline how the calculation can be extended to treat the diluted m-component spin model for m>2. As expected, the results for φ1 remain valid for m>2. The techniques described here have led to several recent calculations of various infinite families of exponents.

Idempotents a la mod

ERIC Educational Resources Information Center

Sibley, Thomas Q.

2012-01-01

An idempotent satisfies the equation x[superscript 2] = x. In ordinary arithmetic, this is so easy to solve it's boring. We delight the mathematical palette here, topping idempotents off with modular arithmetic and a series of exercises determining for which n there are more than two idempotents (mod n) and exactly how many there are.

Theoretical spectroscopy study of the low-lying electronic states of UX and UX +, X = F and Cl

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

Bross, David H.; Peterson, Kirk A.

Spectroscopic constants (T e, r e, B 0, ω e, ω ex e) have been calculated for the low-lying electronic states of UF, UF +, UCl, and UCl + using complete active space 2nd-order perturbation theory (CASPT2), with a series of correlation consistent basis sets. The latter included those based on both pseudopotential (PP) and all-electron Douglas-Kroll-Hess (DK) Hamiltonians for the U atom. Spin orbit effects were included a posteri using the state interacting method using both PP and Breit Pauli (BP) operators, as well as from exact two-component (X2C) methods for U + and UF +. Complete basis setmore » (CBS) limits were obtained by extrapolation where possible and the PP and BP calculations were compared at their respective CBS limits. The PP-based method was shown to be reliable in calculating spectroscopic constants, in particular when using the state interacting method with CASPT2 energies (SO-CASPT2). The two component calculations were limited by computational resources and could not include electron correlation from the nominally closed shell 6s and 6p orbitals of U. UF and UCl were both calculated to have Ω=9/2 ground states. The first excited state of UCl was calculated to be an Ω=7/2 state at 78 cm -1 as opposed to the same state at 435 cm-1 in UF, and the other low-lying states of UCl showed a similar compression relative to UF. Likewise UF+ and UCl+ both have Ω=4 ground states and the manifold of low-lying excited Ω = 3, 2, 1, 0 states were energetically closer together in UCl + than in UF +, ranging up to 776 cm -1 in UF + and only 438 cm -1 in UCl +. As in previous research, the final PP-based SO-CASPT2 results for UF + and UF agree well with experiment, and are expected to be predictive for UCl and UCl +, which are reported here for the first time.« less

Theoretical spectroscopy study of the low-lying electronic states of UX and UX +, X = F and Cl

DOE PAGES

Bross, David H.; Peterson, Kirk A.

2015-11-13

Spectroscopic constants (T e, r e, B 0, ω e, ω ex e) have been calculated for the low-lying electronic states of UF, UF +, UCl, and UCl + using complete active space 2nd-order perturbation theory (CASPT2), with a series of correlation consistent basis sets. The latter included those based on both pseudopotential (PP) and all-electron Douglas-Kroll-Hess (DK) Hamiltonians for the U atom. Spin orbit effects were included a posteri using the state interacting method using both PP and Breit Pauli (BP) operators, as well as from exact two-component (X2C) methods for U + and UF +. Complete basis setmore » (CBS) limits were obtained by extrapolation where possible and the PP and BP calculations were compared at their respective CBS limits. The PP-based method was shown to be reliable in calculating spectroscopic constants, in particular when using the state interacting method with CASPT2 energies (SO-CASPT2). The two component calculations were limited by computational resources and could not include electron correlation from the nominally closed shell 6s and 6p orbitals of U. UF and UCl were both calculated to have Ω=9/2 ground states. The first excited state of UCl was calculated to be an Ω=7/2 state at 78 cm -1 as opposed to the same state at 435 cm-1 in UF, and the other low-lying states of UCl showed a similar compression relative to UF. Likewise UF+ and UCl+ both have Ω=4 ground states and the manifold of low-lying excited Ω = 3, 2, 1, 0 states were energetically closer together in UCl + than in UF +, ranging up to 776 cm -1 in UF + and only 438 cm -1 in UCl +. As in previous research, the final PP-based SO-CASPT2 results for UF + and UF agree well with experiment, and are expected to be predictive for UCl and UCl +, which are reported here for the first time.« less

Natural versus anthropogenic subsidence of Venice.

PubMed

Tosi, Luigi; Teatini, Pietro; Strozzi, Tazio

2013-09-26

We detected land displacements of Venice by Persistent Scatterer Interferometry using ERS and ENVISAT C-band and TerraSAR-X and COSMO-SkyMed X-band acquisitions over the periods 1992-2010 and 2008-2011, respectively. By reason of the larger observation period, the C-band sensors was used to quantify the long-term movements, i.e. the subsidence component primarily ascribed to natural processes. The high resolution X-band satellites reveal a high effectiveness to monitor short-time movements as those induced by human activities. Interpolation of the two datasets and removal of the C-band from the X-band map allows discriminating between the natural and anthropogenic components of the subsidence. A certain variability characterizes the natural subsidence (0.9 ± 0.7 mm/yr), mainly because of the heterogeneous nature and age of the lagoon subsoil. The 2008 displacements show that man interventions are responsible for movements ranging from -10 to 2 mm/yr. These displacements are generally local and distributed along the margins of the city islands.

Chemical characterization of the smokes of selected US commercial cigarettes: tar, nicotine, carbon monoxide, oxides of nitrogen, hydrogen cyanide, and acrolein. [32 brands

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

Jenkins, R.A.; White, S.K.; Griest, W.H.

Thirty-two brands of US commercial cigarettes were analyzed for their deliveries of tar, nicotine, CO, CO/sub 2/, HCN, NO/sub x/, and acrolein under standard smoking conditions. Per cigarette and per puff deliveries were calculated. The sample suite contained filtered and non-filtered varieties, and relatively popular high, low, and medium tar delivery cigarettes. The range of deliveries of these constituents was considerable. Statistical analysis indicated that the deliveries of nicotine, CO, NO/sub x/, and HCN could usually be estimated to within 50% of their actual delivery if the tar delivery was known. However, brand to brand variation in the constituent ratiosmore » was sufficient so as to preclude the exact calculation of the delivery of one component from that of another.« less

Qiang-Dong proper quantization rule and its applications to exactly solvable quantum systems

NASA Astrophysics Data System (ADS)

Serrano, F. A.; Gu, Xiao-Yan; Dong, Shi-Hai

2010-08-01

We propose proper quantization rule, ∫x_Ax_B k(x)dx-∫x0Ax0Bk0(x)dx=nπ, where k(x )=√2M[E -V(x)] /ℏ. The xA and xB are two turning points determined by E =V(x), and n is the number of the nodes of wave function ψ(x ). We carry out the exact solutions of solvable quantum systems by this rule and find that the energy spectra of solvable systems can be determined only from its ground state energy. The previous complicated and tedious integral calculations involved in exact quantization rule are greatly simplified. The beauty and simplicity of the rule come from its meaning—whenever the number of the nodes of ϕ(x ) or the number of the nodes of the wave function ψ(x ) increases by 1, the momentum integral ∫xAxBk(x )dx will increase by π. We apply this proper quantization rule to carry out solvable quantum systems such as the one-dimensional harmonic oscillator, the Morse potential and its generalization, the Hulthén potential, the Scarf II potential, the asymmetric trigonometric Rosen-Morse potential, the Pöschl-Teller type potentials, the Rosen-Morse potential, the Eckart potential, the harmonic oscillator in three dimensions, the hydrogen atom, and the Manning-Rosen potential in D dimensions.

Optimal decay rate for the wave equation on a square with constant damping on a strip

NASA Astrophysics Data System (ADS)

Stahn, Reinhard

2017-04-01

We consider the damped wave equation with Dirichlet boundary conditions on the unit square parametrized by Cartesian coordinates x and y. We assume the damping a to be strictly positive and constant for x<σ and zero for x>σ . We prove the exact t^{-4/3}-decay rate for the energy of classical solutions. Our main result (Theorem 1) answers question (1) of Anantharaman and Léautaud (Anal PDE 7(1):159-214, 2014, Section 2C).

Phase equilibria in the Tb-Mg-Co system at 500 °C, crystal structure and hydrogenation properties of selected compounds

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

Shtender, V.V.; Denys, R.V.; Zavaliy, I.Yu., E-mail: zavaliy@ipm.lviv.ua

2015-12-15

The isothermal section of the Tb–Mg–Co phase diagram at 500 °C has been built on the basis of XRD analysis of forty samples prepared by powder metallurgy. The existence of two ternary compounds Tb{sub 4}Mg{sub 3}Co{sub 2} and Tb{sub 4}MgCo was confirmed. The formation of two solid solutions, Tb{sub 1−x}Mg{sub x}Co{sub 3} (0≤x≤0.4) and Tb{sub 1-−x}Mg{sub x}Co{sub 2} (0≤x≤0.6), was found for the first time. It is shown that Tb{sub 5}Mg{sub 24} also dissolves a small amount of Co. Other binary compounds do not dissolve the third component. The Tb{sub 4}MgCo and TbMgCo{sub 4} compounds form hydrides (12.7 and 5.3more » at.H/f.u. capacity, respectively) that retain the original structure of metallic matrices. Upon thermal desorption the Tb{sub 4}MgCoH{sub 12.7} hydride was stable up to 300 °C and disproportionated at higher temperature. Two other hydrides, Tb{sub 4}Mg{sub 3}Co{sub 2}H{sub ∼4} and Tb{sub 2}MgCo{sub 9}H{sub 12}, are unstable in air and decompose into the initial compounds. - Highlights: • The phase equilibria at 500 °°C in the Tb–Mg–Co system has been studied. • The existence of two ternary compounds, Tb{sub 4}Mg{sub 3}Co{sub 2} and Tb{sub 4}MgCo, was confirmed. • The formation of two solid solutions, Tb{sub 1−x}Mg{sub x}Co{sub 3} and Tb{sub 1−x}Mg{sub x}Co{sub 2}, was found. • Hydrogen sorption–desorption properties have been studied for the selected alloys.« less

Handbook for Sampling and Sample Preservation of Water and Wastewater

DTIC Science & Technology

1992-05-01

integers from 1 to N. N E Xi = XI1 + X 2 + X 3 . ..... + XN i=l 1 In the above example (from Table 4.1), X1 = 35.8, X2 = 33.0, ... , XN = X52 32.4; N E...41e 0 b10) -4 r- -C) a) 5l %Dt C) ON qc -0 Cl qtr C -4 %D cvj qw a) C )L- L~~~J enC- ..4 m~a CV) .4 c P.. .4 cnm0 q5C) )n me .-4C) - (J 1 () e U m. 0-4...X(l) = X = 35.8, X(2) = X2 = 33.0,..., X(52) = X52 = 32.4. X(t) is the linear trend. X’(t) is the random component. In this case, the trend can be

Core-Level Photoemission Investigations of the CADMIUM-TELLURIDE(100) and INDIUM-ANTIMONY(100) Surface and Interfacial Structures.

NASA Astrophysics Data System (ADS)

John, Peter James

1988-12-01

Photoemission techniques, utilizing a synchrotron light source, were used to analyze the clean (100) surfaces of the zinc-blende semiconductor materials CdTe and InSb. Several interfacial systems involving the surfaces of these materials were also studied, including the CdTe(100)-Ag interface, the CdTe(100)-Sb system, and the InSb(100)-Sn interface. High -energy electron diffraction was also employed to acquire information about of surface structure. A one-domain (2x1) structure was observed for the CdTe(100) surface. Analysis of photoemission spectra of the Cd 4d core level for this surface structure revealed two components resulting from Cd surface atoms. The total intensity of these components accounts for a full monolayer of Cd atoms on the surface. A structural model is discussed commensurate with these results. Photoemission spectra of the Cd and Te 4d core levels indicate that Ag or Sb deposited on the CdTe(100)-(2x1) surface at room temperature do not bound strongly to the surface Cd atoms. The room temperature growth characteristics for these two elements on the CdTe(100)-(2x1) are discussed. The growth at elevated substrate temperatures was also studied for Sb deposition. The InSb(100) surface differed from the CdTe(100) surface. Using molecular beam epitaxy, several structures could be generated for the InSb(100) surface, including a c(8x2), a c(4x4), an asymmetric (1x3), a symmetric (1x3), and a (1x1). Analysis of photoemission intensities and line shapes indicates that the c(4x4) surface is terminated with 1{3 over 4} monolayers of Sb atoms. The c(8x2) surface is found to be terminated with {3over 4} monolayer of In atoms. Structural models for both of these surfaces are proposed based upon the photoemission results and upon models of the similar GaAs(100) structures. The room temperature growth characteristics of grey Sn on the InSb(100)-c(4x4) and InSb(100)-c(8x2) surfaces were studied with photoemission. The discontinuity in the valence band maximum for this semiconductor heterojunction system is measured to be 0.40 eV, independent of the starting surface structure and stoichiometry. This result is reconciled with theoretical predictions for heterostructure behavior.

Two-Dimensional Numerical Model of coupled Heat and Moisture Transport in Frost Heaving Soils.

DTIC Science & Technology

1982-08-01

integrated relations become: The exact solution is the %%ell-known series expansion: At -11)e )+bO! -201, +Li j I:IAx), " 2" 4 ,, sin 3 .x )fx. t=-szf...giethe complete mab balance formula tion. Integrating .patiall% and temporall % on eac:n R ~ .% fl, Icc .1’l i l Ilt,.’. ,l~llc "jaJ i l C tl~ I1I’ .El~lt...diffusivity model can be approximately linearized by using values of diffusivitv assumed constant for small intervals of space and time. By a series expansion

Exact Mesonic Eightfold Way From Dynamics and Confinement in Strongly Coupled Lattice QCD

NASA Astrophysics Data System (ADS)

Neto, A. Francisco; O'Carroll, M.; Faria da Veiga, P. A.

2009-01-01

We review our results on the exact determination of the mesonic eightfold way from first principles, directly from the quark-gluon dynamics. For this, we consider an imaginary-time functional integral formulation of 3 + 1 dimensional lattice QCD with Wilson action, three flavors, SU(3) f flavor symmetry and SU(3) c local gauge symmetry. We work in the strong coupling regime: a small hopping parameter κ>0 and a much smaller plaquette coupling β>0. By establishing a Feynman-Kac formula and a spectral representation to the two-meson correlation, we provide a rigorous connection between this correlation and the one-meson energy-momentum spectrum. The particle states can be labeled by the usual SU(3) f quantum numbers of total isospin I and its third-component I3, the quadratic Casimir C2 and, by a partial restoration of the continuous rotational symmetry on the lattice, as well as by the total spin J and its z-component Jz. We show that, up to near the two-meson energy threshold of ≈-4lnκ, the spectrum in the meson sector is given only by isolated dispersion curves of the eightfold way mesons. The mesons have all asymptotic mass of -2lnκ and, by deriving convergent expansions for the masses both in κ and β, we also show a κ mass splitting between the J=0,1 states. The splitting persists for β≠0. Our approach employs the decoupling of hyperplane method to uncover the basic excitations, complex analysis to determine the dispersion curves and a correlation subtraction method to show the curves are isolated. Using the latter and recalling our similar results for baryons, we also show confinement up to near the two-meson threshold.

General synthesis of hierarchical C/MOx@MnO2 (M=Mn, Cu, Co) composite nanofibers for high-performance supercapacitor electrodes.

PubMed

Nie, Guangdi; Lu, Xiaofeng; Chi, Maoqiang; Gao, Mu; Wang, Ce

2018-01-01

Improving the conductivity and specific surface area of electrospun carbon nanofibers (CNFs) is beneficial to a rapid realization of their applications in energy storage field. Here, a series of one-dimensional C/MO x (M=Mn, Cu, Co) nanostructures are first prepared by a simple two-step process consisting of electrospinning and thermal treatment. The presence of low-valence MO x enhances the porosity and conductivity of nanocomposites to some extent through expanding graphitic domains or mixing metallic Cu into the CNF substrates. Next, the C/MO x frameworks are coated with MnO 2 nanosheets/nanowhiskers (C/MO x @MnO 2 ), during which process the low-valence MO x can partly reduce KMnO 4 so as to mitigate the consumption of CNFs. When used as active materials for supercapacitor electrodes, the obtained C/MO x @MnO 2 exhibit excellent electrochemical performances in comparison with the common CNFs@MnO 2 (CM) core-shell electrode due to the combination of desired functions of the individual components and the introduction of extra synergistic effect. It is believed that these results will provide an alternative way to further increase the capacitive properties of CNFs- or metal oxide-based nanomaterials and potentially stimulate the investigation on other kinds of C/MO x composite nanostructures for various applications. Copyright © 2017 Elsevier Inc. All rights reserved.

Synthesis, crystal structures and luminescence properties of new multi-component co-crystals of isostructural Co(II) and Zn(II) complexes

NASA Astrophysics Data System (ADS)

Tella, Adedibu C.; Owalude, Samson O.; Omotoso, Mary F.; Olatunji, Sunday J.; Ogunlaja, Adeniyi S.; Alimi, Lukman O.; Popoola, Olugbenga K.; Bourne, Susan A.

2018-04-01

Two novel isostructural compounds containing multi-component co-crystals [M(C6H4NO2)2(H2O)2](C9H6O6)2 (M = Co (1), Zn (2), C6H4NO2 = Picolinic acid, C9H6O6 = Trimesic acid) have been synthesized. The compounds were characterized by elemental analysis, FT-IR, UV-Visible and 1H NMR spectroscopies as well as thermal and single crystal X-ray diffraction analyses. Single crystal X-ray diffraction analysis reveals that 1 and 2 are isostructural. Compound 1 crystallizes in triclinic space group (P-1, with a = 5.154 (10) Å, b = 11.125 (2) Å, c = 14.113 (3) Å, α = 91.01 (3)°, β = 100.54 (3)°, and γ = 102.71 (3)°). In a similar fashion, compound 2 crystallizes in triclinic space group (P-1, with a = 5.1735 (3) Å, b = 11.0930 (10) Å, c = 14.1554 (8) Å, α = 91.70 (3)°, β = 100.26 (3)°, γ = 102.90 (3)°). The metal (II) cation presents distorted MN2O4 octahedral geometry with H2O molecules coordinated to the metal in equatorial position while the picolinic acid molecules are axially coordinated through the pyridine N atom. The two trimesic acid molecules are not part of the first coordination sphere. Compounds 1 and 2 constitute an example of a class of coordination compound of multicomponent crystals having trimesic acid outside the coordination sphere where it is neither protonated or deprotonated. The two compounds were investigated for luminiscence properties.

Modified method of simplest equation: Powerful tool for obtaining exact and approximate traveling-wave solutions of nonlinear PDEs

NASA Astrophysics Data System (ADS)

Vitanov, Nikolay K.

2011-03-01

We discuss the class of equations ∑i,j=0mAij(u){∂iu}/{∂ti}∂+∑k,l=0nBkl(u){∂ku}/{∂xk}∂=C(u) where Aij( u), Bkl( u) and C( u) are functions of u( x, t) as follows: (i) Aij, Bkl and C are polynomials of u; or (ii) Aij, Bkl and C can be reduced to polynomials of u by means of Taylor series for small values of u. For these two cases the above-mentioned class of equations consists of nonlinear PDEs with polynomial nonlinearities. We show that the modified method of simplest equation is powerful tool for obtaining exact traveling-wave solution of this class of equations. The balance equations for the sub-class of traveling-wave solutions of the investigated class of equations are obtained. We illustrate the method by obtaining exact traveling-wave solutions (i) of the Swift-Hohenberg equation and (ii) of the generalized Rayleigh equation for the cases when the extended tanh-equation or the equations of Bernoulli and Riccati are used as simplest equations.

Spontaneous supersymmetry breaking in two dimensional lattice super QCD

DOE PAGES

Catterall, Simon; Veernala, Aarti

2015-10-02

We report on a non-perturbative study of two dimensional N=(2,2) super QCD. Our lattice formulation retains a single exact supersymmetry at non-zero lattice spacing, and contains N f fermions in the fundamental representation of a U(N c) gauge group. The lattice action we employ contains an additional Fayet-Iliopoulos term which is also invariant under the exact lattice supersymmetry. This work constitutes the first numerical study of this theory which serves as a toy model for understanding some of the issues that are expected to arise in four dimensional super QCD. As a result, we present evidence that the exact supersymmetrymore » breaks spontaneously when N f < N c in agreement with theoretical expectations.« less

First study of η c(1S), η(1760) and X(1835) production via η 'π⁺π⁻ final states in two-photon collisions

DOE PAGES

Zhang, C. C.; Aihara, H.; Asner, D. M.; ...

2012-09-10

The invariant mass spectrum of the η 'π⁺π⁻ final state produced in two-photon collisions is obtained using a 673 fb⁻¹ data sample collected in the vicinity of the Υ(4S) resonance with the Belle detector at the KEKB asymmetric-energy e⁺e⁻ collider. We observe a clear signal of the η c(1S) and measure its mass and width to be M(η c(1S))=(2982.7±1.8(stat)±2.2(syst)±0.3(model)) MeV/c² and Γ(η c(1S))=(37.8 +5.8 –5.3(stat)±2.8(syst)±1.4(model)) MeV/c². The third error is an uncertainty due to possible interference between the η c(1S) and a nonresonant component. We also report the first evidence for η(1760) decay toη 'π⁺π⁻; we find two solutions formore » its parameters, depending on the inclusion or not of the X(1835), whose existence is of marginal significance in our data. From a fit to the mass spectrum using coherent X(1835) and η(1760) resonant amplitudes, we set a 90% confidence level upper limit on the product ΓγγB(η 'π⁺π⁻) for the X(1835).« less

Long-run growth rate in a random multiplicative model

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

Pirjol, Dan

2014-08-01

We consider the long-run growth rate of the average value of a random multiplicative process x{sub i+1} = a{sub i}x{sub i} where the multipliers a{sub i}=1+ρexp(σW{sub i}₋1/2 σ²t{sub i}) have Markovian dependence given by the exponential of a standard Brownian motion W{sub i}. The average value (x{sub n}) is given by the grand partition function of a one-dimensional lattice gas with two-body linear attractive interactions placed in a uniform field. We study the Lyapunov exponent λ=lim{sub n→∞}1/n log(x{sub n}), at fixed β=1/2 σ²t{sub n}n, and show that it is given by the equation of state of the lattice gas inmore » thermodynamical equilibrium. The Lyapunov exponent has discontinuous partial derivatives along a curve in the (ρ, β) plane ending at a critical point (ρ{sub C}, β{sub C}) which is related to a phase transition in the equivalent lattice gas. Using the equivalence of the lattice gas with a bosonic system, we obtain the exact solution for the equation of state in the thermodynamical limit n → ∞.« less

Zeros of Schrödinger's Radial Function Rnl(r) and Kummer's Function 1F1(-a c; z) and Their ``Angle'' Distributions

NASA Astrophysics Data System (ADS)

Tarasov, V. F.

In the present paper exact formulae for the calculation of zeros of Rnl(r) and 1F1(-a c; z), where z = 2 λ r, a = n - l - 1 >= 0 and c = 2l + 2 >= 2 are presented. For a <= 4 the method due to Tartallia and Cardono, and that due to L. Ferrai, L. Euler and J. L. Lagrange are used. In other cases (a > 4) numerical methods are employed to obtain the results (to within 10-15). For greater geometrical obviousness of the irregulary distribution (as a > 3) of zeros xk = zk - (c + a - 1) on the axis y = 0, the circular diagrams with the radius Ra = (a - 1) √ {c + a - 1} are presented for the first time. It is possible to notice some singularities of distribution of these zeros and their images - the points Tk - on the circle. For a = 3 and 4 their exact ``angle'' asymptotics (as c --> ∞) are obtained. It is shown that in the basis of the L. Ferrari, L. Euler and J.-L. Lagrange methods, using for solving the equation 1F1(-4 c; z) = 0, one Common for all these methods. equation is obtained viz., the cubic resolvent equation of FEL-type. Calculating of zeros xk of the Rnl(r) and 1F1(z) functions enable us to show the ``singular'' cases (a, c) = (4, 6), (6, 4), (8, 14), ...

A stable Fe{sup III}-Fe{sup IV} replacement of tyrosyl radical in a class I ribonucleotide reductase

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

Voevodskaya, N.; Lendzian, F.; Graeslund, A.

2005-05-20

Ribonucleotide reductase (RNR) of Chlamydia trachomatis is a class I RNR enzyme composed of two homodimeric components, proteins R1 and R2. In class I RNR, R1 has the substrate binding site, whereas R2 has a diferric site and normally in its active form a stable tyrosyl free radical. C. trachomatis RNR is unusual, because its R2 component has a phenylalanine in the place of the radical carrier tyrosine. Replacing the tyrosyl radical, a paramagnetic Fe{sup III}-Fe{sup IV} species (species X, normally a transient intermediate in the process leading to radical formation) may provide the oxidation equivalent needed to start themore » catalytic process via long range electron transfer from the active site in R1. Here EPR spectroscopy shows that in C. trachomatis RNR, species X can become essentially stable when formed in a complete RNR (R1/R2/substrate) complex, adding further weight to the possible role of this species X in the catalytic reaction.« less

Relativistic GVVPT2 multireference perturbation theory description of the electronic states of Y2 and Tc2.

PubMed

Tamukong, Patrick K; Hoffmann, Mark R; Li, Zhendong; Liu, Wenjian

2014-02-27

The multireference generalized Van Vleck second-order perturbation theory (GVVPT2) method is used to describe full potential energy curves (PECs) of low-lying states of second-row transition metal dimers Y(2) and Tc(2), with scalar relativity included via the spin-free exact two-component (sf-X2C) Hamiltonian. Chemically motivated incomplete model spaces, of the style previously shown to describe complicated first-row transition metal diatoms well, were used and again shown to be effective. The studied states include the previously uncharacterized 2(1)Σ(g)(+) and 3(1)Σ(g)(+) PECs of Y(2). These states, together with 1(1)Σ(g)(+), are relevant to discussion of controversial results in the literature that suggest dissociation asymptotes that violate the noncrossing rule. The ground state of Y(2) was found to be X(5)Σ(u)(–) (similar to Sc(2)) with bond length R(e) = 2.80 Å, binding energy D(e) = 3.12 eV, and harmonic frequency ω(e) = 287.2 cm(–1), whereas the lowest 1(1)(g)(+) state of Y(2) was found to lie 0.67 eV above the quintet ground state and had spectroscopic constants R(e) = 3.21 Å, D(e) = 0.91 eV, and ω(e) = 140.0 cm(–1). Calculations performed on Tc(2) include study of the previously uncharacterized relatively low-lying 1(5)Σ(g)(+) and 1(9)Σ(g)(+) states (i.e., 0.70 and 1.84 eV above 1(1)Σ(g)(+), respectively). The ground state of Tc(2) was found to be X(3)Σ(g)(–) with R(e) = 2.13 Å, D(e) = 3.50 eV, and ω(e) = 336.6 cm(–1) (for the most stable isotope, Tc-98) whereas the lowest (1)Σ(g)(+) state, generally accepted to be the ground state symmetry for isovalent Mn(2) and Re(2), was found to lie 0.47 eV above the X(3)Σ(g)(–) state of Tc(2). The results broaden the range of demonstrated applicability of the GVVPT2 method.

Sputtered superconducting films of Bi sub 2 Sr sub 2 CaCu sub 2 O sub x made by low-temperature, in-situ growth

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

Kampwirth, R.T.; Gray, K.E.; Andersen, P.H.

1989-01-01

Composite target rf magnetron sputtering has previously been successfully employed to make superconducting films of YBa{sub 2}Cu{sub 3}O{sub 7{minus}x} in-situ at substrate temperatures T{sub s} < 700{degree}C. We report the successful growth of superconducting films of Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub x} on single crystal MgO substrates by a low-temperature process using dc magnetron sputtering from a Bi-enriched composite target. Using a substrate temperature T{sub s} {approx} 645{degree}C, metallic films with a superconducting onset of 90--100K and an extrapolated T{sub c0} = 56K have been obtained. X-ray diffraction shows the films to be c-axis oriented. Electron microscopy reveals that the filmsmore » are not significantly smoother than films which were post-annealed at 865{degree}C, and that some segregation into nonsuperconducting phases had occurred. The exact mechanism by which crystallization and superconductivity occurs at such low temperatures is not yet known, but it can be speculated that the surface atoms are less constrained and thus have a smaller energy barrier to overcome in forming a crystal structure. 9 refs., 4 figs., 1 tab.« less

Topological Frequency Conversion in Strongly Driven Quantum Systems

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

Martin, Ivar; Refael, Gil; Halperin, Bertrand

When a physical system is subjected to a strong external multi-frequency drive, its dynamics can be conveniently represented in the multi-dimensional Floquet lattice. The number of the Floquet lattice dimensions equals the number of irrationally-related drive frequencies, and the evolution occurs in response to a built-in effective \\electric" field, whose components are proportional to the corresponding drive frequencies. The mapping allows to engineer and study temporal analogs of many real-space phenomena. Here we focus on the specifc example of a two-level system under two-frequency drive that induces topologically nontrivial band structure in the 2D Floquet space. The observable consequence ofmore » such construction is quantized pumping of energy between the sources with frequencies w 1 and w 2. Finally, when the system is initialized into a Floquet band with the Chern number C, the pumping occurs at the rate P 12 = – P 21 = ( C/2π)hw 1w 2, an exact counterpart of the transverse current in a conventional topological insulator.« less

Topological Frequency Conversion in Strongly Driven Quantum Systems

DOE PAGES

Martin, Ivar; Refael, Gil; Halperin, Bertrand

2017-10-16

When a physical system is subjected to a strong external multi-frequency drive, its dynamics can be conveniently represented in the multi-dimensional Floquet lattice. The number of the Floquet lattice dimensions equals the number of irrationally-related drive frequencies, and the evolution occurs in response to a built-in effective \\electric" field, whose components are proportional to the corresponding drive frequencies. The mapping allows to engineer and study temporal analogs of many real-space phenomena. Here we focus on the specifc example of a two-level system under two-frequency drive that induces topologically nontrivial band structure in the 2D Floquet space. The observable consequence ofmore » such construction is quantized pumping of energy between the sources with frequencies w 1 and w 2. Finally, when the system is initialized into a Floquet band with the Chern number C, the pumping occurs at the rate P 12 = – P 21 = ( C/2π)hw 1w 2, an exact counterpart of the transverse current in a conventional topological insulator.« less

Natural versus anthropogenic subsidence of Venice

PubMed Central

Tosi, Luigi; Teatini, Pietro; Strozzi, Tazio

2013-01-01

We detected land displacements of Venice by Persistent Scatterer Interferometry using ERS and ENVISAT C-band and TerraSAR-X and COSMO-SkyMed X-band acquisitions over the periods 1992–2010 and 2008–2011, respectively. By reason of the larger observation period, the C-band sensors was used to quantify the long-term movements, i.e. the subsidence component primarily ascribed to natural processes. The high resolution X-band satellites reveal a high effectiveness to monitor short-time movements as those induced by human activities. Interpolation of the two datasets and removal of the C-band from the X-band map allows discriminating between the natural and anthropogenic components of the subsidence. A certain variability characterizes the natural subsidence (0.9 ± 0.7 mm/yr), mainly because of the heterogeneous nature and age of the lagoon subsoil. The 2008 displacements show that man interventions are responsible for movements ranging from −10 to 2 mm/yr. These displacements are generally local and distributed along the margins of the city islands. PMID:24067871

Study on the site preference of Ca in superconducting oxides Bi{sub 2}Sr{sub 2−x}Ca{sub x}CuO{sub 6+δ} (0.1 ≤ x ≤ 1.0)

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

Sun, B.Z.; Zhou, S.L.; Wang, H.

2014-01-15

A series of compound with the nominal composition of Bi{sub 2}Sr{sub 2−x}Ca{sub x}CuO{sub 6+δ} (x = 0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 0.7, 0.8, 0.9, 1.0) were synthesized by the sol–gel method. Constituent phases and crystal structure of samples were analyzed by X-ray diffraction. It can be found that the Ca-doped Bi-2201 system was composed of Bi-2201 phase containing Ca and a small quantity of Bi{sub 16}(Sr,Ca){sub 14}O{sub 38}. For Bi-2201 unit cell containing Ca, chemical component and site preference of Ca atoms were characterized systematically by transmission electron microscopy. With the introduction of Ca atoms, Sr-sites have been occupiedmore » partially by Ca{sup 2+} in Bi-2201 unit cell, which leads to a decrease in the lattice parameters c and b of the Bi-2201 phase when the Ca-content x is below 0.6. Two types of new orthorhombic lattices are formed in the substitution. One is a lattice with space group Pma2 as the two nearest neighbor Sr-sites in the same Sr–O layer are occupied by Ca{sup 2+}. Its lattice parameters can be characterized as a = 5.402 Å, b = 5.313 Å and c = 24.272 Å, respectively. When two nearest Sr ions of the second neighboring Sr–O layers are replaced by Ca{sup 2+} ions, the lattice with the space group Pmn2{sub 1} can be formed. Its lattice parameters are close to that of the previous. The modulation vector is lying in the a*–c* plane in the two new orthorhombic lattices (Pma2 and Pmn2{sub 1}). Bi/Ca-2201 lattice (with Ca) and Bi-2201 lattice (without Ca) coexist in the same Bi{sub 2}Sr{sub 2−x}Ca{sub x}CuO{sub 6}+{sub δ} grain, which can be described as an intergrowth structure.« less

Retention Forces between Titanium and Zirconia Components of Two-Part Implant Abutments with Different Techniques of Surface Modification.

PubMed

von Maltzahn, Nadine Freifrau; Holstermann, Jan; Kohorst, Philipp

2016-08-01

The adhesive connection between titanium base and zirconia coping of two-part abutments may be responsible for the failure rate. A high mechanical stability between both components is essential for the long-term success. The aim of the present in-vitro study was to evaluate the influence of different surface modification techniques and resin-based luting agents on the retention forces between titanium and zirconia components in two-part implant abutments. A total of 120 abutments with a titanium base bonded to a zirconia coping were investigated. Two different resin-based luting agents (Panavia F 2.0 and RelyX Unicem) and six different surface modifications were used to fix these components, resulting in 12 test groups (n = 10). The surface of the test specimens was mechanically pretreated with aluminium oxide blasting in combination with application of two surface activating primers (Alloy Primer, Clearfil Ceramic Primer) or a tribological conditioning (Rocatec), respectively. All specimens underwent 10,000 thermal cycles between 5°C and 55°C in a moist environment. A pull-off test was then conducted to determine retention forces between the titanium and zirconia components, and statistical analysis was performed (two-way anova). Finally, fracture surfaces were analyzed by light and scanning electron microscopy. No significant differences were found between Panavia F 2.0 and RelyX Unicem. However, the retention forces were significantly influenced by the surface modification technique used (p < 0.001). For both luting agents, the highest retention forces were found when adhesion surfaces of both the titanium bases and the zirconia copings were pretreated with aluminium oxide blasting, and with the application of Clearfil Ceramic Primer. Surface modification techniques crucially influence the retention forces between titanium and zirconia components in two-part implant abutments. All adhesion surfaces should be pretreated by sandblasting. Moreover, a phosphate-based primer serves to enhance long-term retention of the components. © 2015 Wiley Periodicals, Inc.

The Multi-component X-ray Emission of 3C 273

NASA Astrophysics Data System (ADS)

Soldi, S.; Türler, M.; Paltani, S.; Courvoisier, T. J.-L.

2009-05-01

3C 273 is the brightest quasar in the sky and among the most extensively observed and studied AGN, therefore one of the most suitable targets for a long-term, multi-frequency study. The superposition of a thermal Comptonisation component, similar to that observed in Seyfert galaxies, and of a non-thermal component, related to the jet emission, seems to explain some of the spectral and timing properties of the X-ray emission of 3C 273. Yet, during some observations this dichotomy has not been observed and the variability properties could also be consistent with a single-component scenario, characterised by two parameters varying independently. In order to understand the nature of the X-ray emission in 3C 273, a series of observations up to 80-100 keV, possibly catching the source in different flux states, are essential. Simbol-X will be able to study the emission of 3C 273 in the broad 0.5-80 keV band with high sensitivity, allowing us to disentangle the emission from different spectral components, with 20-30 ks long observations. In addition, the shape and the origin of the high-energy emission of this quasar will be further constrained thanks to the AGILE and Fermi satellites, monitoring the γ-ray sky in the MeV-GeV energy domain.

Comparative research on the influence of varied Al component on the active layer of AlGaN photocathode

NASA Astrophysics Data System (ADS)

He, Minyou; Chen, Liang; Su, Lingai; Yin, Lin; Qian, Yunsheng

2017-06-01

To theoretically research the influence of a varied Al component on the active layer of AlGaN photocathodes, the first principle based on density functional theory is used to calculate the formation energy and band structure of Al x Ga1-x N with x at 0, 0.125, 0.25, 0.325, and 0.5. The calculation results show that the formation energy declines along with the Al component rise, while the band gap is increasing with Al component increasing. Al x Ga1-x N with x at 0, 0.125, 0.25, 0.325, and 0.5 are direct band gap semiconductors, and their absorption coefficient curves have the same variation tendency. For further study, we designed two kinds of reflection-mode AlGaN photocathode samples. Sample 1 has an Al x Ga1-x N active layer with varied Al component ranging from 0.5 to 0 and decreasing from the bulk to the surface, while sample 2 has an Al x Ga1-x N active layer with the fixed Al component of 0.25. Using the multi-information measurement system, we measured the spectral response of the activated samples at room temperature. Their photocathode parameters were obtained by fitting quantum efficiency curves. Results show that sample 1 has a better spectral response than sample 2 at the range of short-wavelength. This work provides a reference for the structure design of the AlGaN photocathode. Project supported by the National Natural Science Foundation of China (Nos. 61308089, 6144005) and the Public Technology Applied Research Project of Zhejiang Province (No. 2013C31068).

The Double-Peaked SN 2013ge: A Type Ib/c Sn with an Asymmetric Mass Ejection or an Extended Progenitor Envelope

NASA Technical Reports Server (NTRS)

Drout, M. R.; Milisavjlevic, D.; Parrent, J.; Margutti, R.; Kamble, A.; Soderberg, A.M.; Challis, P.; Chornock, P.; Fong, W.; Frank, S.;

Infrared and near infrared emission spectra of TeH and TeD

NASA Astrophysics Data System (ADS)

Yu, Shanshan; Shayesteh, Alireza; Fu, Dejian; Bernath, Peter F.

2005-04-01

The vibration-rotation emission spectra for the X2Π ground state and the near infrared emission spectra of the X2Π 1/2- X2Π 3/2 system of the TeH and TeD free radicals have been measured at high resolution using a Fourier transform spectrometer. TeH and TeD were generated in a tube furnace with a DC discharge of a flowing mixture of argon, hydrogen (or deuterium), and tellurium vapor. In the infrared region, for the X2Π 3/2 spin component we observed the 1-0, 2-1, and 3-2 vibrational bands for most of the eight isotopologues of TeH and the 1-0 and 2-1 bands for three isotopologues of TeD. For the X2Π 1/2- X2Π 3/2 transition, we observed the 0-0 and 1-1 bands for TeH and the 0-0, 1-1, and 2-2 bands for TeD. Except for a few lines, the tellurium isotopic shift was not resolved for the X2Π 1/2- X2Π 3/2 transitions of TeH and TeD. Local perturbations with Δ v = 2 between the two spin components of the X2Π state of TeH were found: X2Π 1/2, v = 0 with X2Π 3/2, v = 2; X2Π 1/2, v = 1 with X2Π 3/2, v = 3. The new data were combined with the previous data from the literature and two kinds of fits (Hund's case (a) and Hund's case (c)) were carried out for each of the 10 observed isotopologues: 130TeD, 128TeD, 126TeD, 130TeH, 128TeH, 126TeH, 125TeH, 124TeH, 123TeH, and 122TeH.

Strong-coupling analysis of two-dimensional O({ital N}) {sigma} models with {ital N}{le}2 on square, triangular, and honeycomb lattices

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

Campostrini, M.; Pelissetto, A.; Rossi, P.

1996-09-01

The critical behavior of two-dimensional (2D) O({ital N}) {sigma} models with {ital N}{le}2 on square, triangular, and honeycomb lattices is investigated by an analysis of the strong-coupling expansion of the two-point fundamental Green{close_quote}s function {ital G}({ital x}), calculated up to 21st order on the square lattice, 15th order on the triangular lattice, and 30th order on the honeycomb lattice. For {ital N}{lt}2 the critical behavior is of power-law type, and the exponents {gamma} and {nu} extracted from our strong-coupling analysis confirm exact results derived assuming universality with solvable solid-on-solid models. At {ital N}=2, i.e., for the 2D {ital XY} model,more » the results from all lattices considered are consistent with the Kosterlitz-Thouless exponential approach to criticality, characterized by an exponent {sigma}=1/2, and with universality. The value {sigma}=1/2 is confirmed within an uncertainty of few percent. The prediction {eta}=1/4 is also roughly verified. For various values of {ital N}{le}2, we determine some ratios of amplitudes concerning the two-point function {ital G}({ital x}) in the critical limit of the symmetric phase. This analysis shows that the low-momentum behavior of {ital G}({ital x}) in the critical region is essentially Gaussian at all values of {ital N}{le}2. Exact results for the long-distance behavior of {ital G}({ital x}) when {ital N}=1 (Ising model in the strong-coupling phase) confirm this statement. {copyright} {ital 1996 The American Physical Society.}« less

High-Throughput Screening Across Quaternary Alloy Composition Space: Oxidation of (AlxFeyNi1-x-y)∼0.8Cr∼0.2.

PubMed

Payne, Matthew A; Miller, James B; Gellman, Andrew J

2016-09-12

Composition spread alloy films (CSAFs) are commonly used as libraries for high-throughput screening of composition-property relationships in multicomponent materials science. Because lateral gradients afford two degrees of freedom, an n-component CSAF can, in principle, contain any composition range falling on a continuous two-dimensional surface through an (n - 1)-dimensional composition space. However, depending on the complexity of the CSAF gradients, characterizing and graphically representing this composition range may not be straightforward when n ≥ 4. The standard approach for combinatorial studies performed using quaternary or higher-order CSAFs has been to use fixed stoichiometric ratios of one or more components to force the composition range to fall on some well-defined plane in the composition space. In this work, we explore the synthesis of quaternary Al-Fe-Ni-Cr CSAFs with a rotatable shadow mask CSAF deposition tool, in which none of the component ratios are fixed. On the basis of the unique gradient geometry produced by the tool, we show that the continuous quaternary composition range of the CSAF can be rigorously represented using a set of two-dimensional "pseudoternary" composition diagrams. We then perform a case study of (AlxFeyNi1-x-y)∼0.8Cr∼0.2 oxidation in dry air at 427 °C to demonstrate how such CSAFs can be used to screen an alloy property across a continuous two-dimensional subspace of a quaternary composition space. We identify a continuous boundary through the (AlxFeyNi1-x-y)∼0.8Cr∼0.2 subspace at which the oxygen uptake into the CSAF between 1 and 16 h oxidation time increases abruptly with decreasing Al content. The results are compared to a previous study of the oxidation of AlxFeyNi1-x-y CSAFs in dry air at 427 °C.

Some Exact Conditional Tests of Independence for R X C Cross-Classification Tables

ERIC Educational Resources Information Center

Agresti, Alan; Wackerly, Dennis

1977-01-01

Exact conditional tests of independence in cross-classification tables are formulated based on chi square and other statistics with stronger operational interpretations, such as some nominal and ordinal measures of association. Guidelines for table dimensions and sample sizes for which the tests are economically implemented on a computer are…

Naval Research Logistics Quarterly. Volume 28. Number 3,

DTIC Science & Technology

1981-09-01

denotes component-wise maximum. f has antone (isotone) differences on C x D if for cl < c2 and d, < d2, NAVAL RESEARCH LOGISTICS QUARTERLY VOL. 28...or negative correlations and linear or nonlinear regressions. Given are the mo- ments to order two and, for special cases, (he regression function and...data sets. We designate this bnb distribution as G - B - N(a, 0, v). The distribution admits only of positive correlation and linear regressions

Is Breast Densitometry a Measure of Breast Cancer Risk

DTIC Science & Technology

2001-09-01

preparing the same or similar computer software, or (c) used by a party other than the Government, except that the Government may release or disclose...compositional density. This increases the accuracy, dynamic range and precision of the measurement. This is the principal difference between...vivo whole body %FAT. By subtracting two x-ray images acquired at different x-ray energies, one component (say soft tissue) of a two component model (say

Synthesis of 2H- and 13C-substituted dithanes

DOEpatents

Martinez, Rodolfo A.; Alvarez, Marc A.; Silks, III, Louis A.; Unkefer, Clifford J.

2003-01-01

The present invention is directed to labeled compounds, [2-.sup.13 C]dithiane wherein the .sup.13 C atom is directly bonded to one or two deuterium atoms. The present invention is also directed to processes of preparing [2-.sup.13 C]dithiane wherein the .sup.13 C atom is directly bonded to one or two deuterium atoms. The present invention is also directed to labeled compounds, e.g., [.sup.2 H.sub.1-2, .sup.13 C]methanol (arylthio)-, acetates wherein the .sup.13 C atom is directly bonded to exactly one or two deuterium atoms.

Synthesis Of 2h- And 13c-Substituted Dithanes

DOEpatents

Martinez, Rodolfo A.; Alvarez, Marc A.; Silks, III, Louis A.; Unkefer, Clifford J.

2004-05-04

The present invention is directed to labeled compounds, [2-.sup.13 C]dithane wherein the .sup.13 C atom is directly bonded to one or two deuterium atoms. The present invention is also directed to processes of preparing [2-.sup.13 C]dithane wherein the .sup.13 C atom is directly bonded to one or two deuterium atoms. The present invention is also directed to labeled compounds, e.g., [.sup.2 H.sub.1-2, .sup.13 C]methanol (arylthio)-, acetates wherein the .sup.13 C atom is directly bonded to exactly one or two deuterium atoms.

Novel density functional methodology for the computation of accurate electronic and thermodynamic properties of molecular systems and improved long-range behavior

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

Kafafi, S.A.

1998-12-10

A novel general purpose density functional methodology for the computation of accurate electronic and thermodynamic properties of molecules and improved long-range behavior is reported. Assuming the separability of the exchange (E{sub x}) and correlation (E{sub c}) contributions to the total exchange-correlation energy functional (E{sub xc}), the E{sub x} term consists of a hybrid mixture of 37.5% Hartree-Fock exchange and the appropriate local spin density exchange using the adiabatic connection formula. He demonstrated that E{sub x} and its corresponding potential V{sub x} [=dE{sub x}/d{rho}(r)] have the proper asymptotic limits at r = 0 and r {r_arrow} {infinity}, E{sub c} consists ofmore » the Vosko, Wilk, and Nusair formula for the free-electron gas correlation energy and a generalized gradient approximation term with one adjustable parameter. V{sub c} [=dE{sub c}/d{rho}(r)] was shown to obey the r {r_arrow} {infinity} limit of the corresponding potential derived from exact atomic exchange-correlation computations; namely, V{sub c} is proportional to r{sup {minus}4}. Most importantly, he demonstrated that, at r values where dispersion forces are operating, V{sub c} is proportional to 1/r{sup n} (n = 4, 6, 8, {hor_ellipsis}). The reported method was denoted by K2-BVWN because it used two adjustable parameters in its formulation. The K2-BVWN scheme scales as N{sup 3}, where N is the number of basis functions, compared to {approximately}N{sup 7} for Gaussian-2 (G2) ab initio theory and related methods, {approximately}N{sup 5} for Barone`s mPW1,3PW, and {approximately}N{sup 4} for Becke`s three-parameter density functional approaches. The G2 data set complemented by the reported molecular systems investigated in this work was recommended as a critical test for evaluating novel ab initio and density functional methodologies. The K2-BVWN method has been implemented in the Gaussian series of programs.« less

Bilinear, trilinear forms, and exact solution of certain fourth order integrable difference equations

NASA Astrophysics Data System (ADS)

Sahadevan, R.; Rajakumar, S.

2008-03-01

A systematic investigation of finding bilinear or trilinear representations of fourth order autonomous ordinary difference equation, x(n +4)=F(x(n),x(n+1),x(n+2),x(n+3)) or xn +4=F(xn,xn +1,xn +2,xn +3), is made. As an illustration, we consider fourth order symplectic integrable difference equations reported by [Capel and Sahadevan, Physica A 289, 86 (2001)] and derived their bilinear or trilinear forms. Also, it is shown that the obtained bilinear representations admit exact solution of rational form.

Dispersive shock waves in the Kadomtsev-Petviashvili and two dimensional Benjamin-Ono equations

NASA Astrophysics Data System (ADS)

Ablowitz, Mark J.; Demirci, Ali; Ma, Yi-Ping

2016-10-01

Dispersive shock waves (DSWs) in the Kadomtsev-Petviashvili (KP) equation and two dimensional Benjamin-Ono (2DBO) equation are considered using step like initial data along a parabolic front. Employing a parabolic similarity reduction exactly reduces the study of such DSWs in two space one time (2 + 1) dimensions to finding DSW solutions of (1 + 1) dimensional equations. With this ansatz, the KP and 2DBO equations can be exactly reduced to the cylindrical Korteweg-de Vries (cKdV) and cylindrical Benjamin-Ono (cBO) equations, respectively. Whitham modulation equations which describe DSW evolution in the cKdV and cBO equations are derived and Riemann type variables are introduced. DSWs obtained from the numerical solutions of the corresponding Whitham systems and direct numerical simulations of the cKdV and cBO equations are compared with very good agreement obtained. In turn, DSWs obtained from direct numerical simulations of the KP and 2DBO equations are compared with the cKdV and cBO equations, again with good agreement. It is concluded that the (2 + 1) DSW behavior along self similar parabolic fronts can be effectively described by the DSW solutions of the reduced (1 + 1) dimensional equations.

Magnetic compensation of gravity forces in (p-) hydrogen near its critical point: application to weightless conditions

PubMed

Wunenburger; Chatain; Garrabos; Beysens

2000-07-01

We report a study concerning the compensation of gravity forces in two-phase (p-) hydrogen. The sample is placed near one end of the vertical z axis of a superconducting coil, where there is a near-uniform magnetic field gradient. A variable effective gravity level g can thus be applied to the two-phase fluid system. The vanishing behavior of the capillary length l(C) at the critical point is compensated by a decrease in g and l(C) is kept much smaller than the cell dimension. For g ranging from 1 to 0.25 times Earth's gravity (modulus g(0)) we compare the actual shape of the meniscus to the expected shape in a homogeneous gravity field. We determine l(C) in a wide range of reduced temperature tau=(T(C)-T)/T(C)=[10(-4)-0.02] from a fit of the meniscus shape. The data are in agreement with previous measurements further from T(C) performed in n-H2 under Earth's gravity. The effective gravity is homogeneous within 10(-2)g(0) for a 3 mm diameter and 2 mm thickness sample and is in good agreement with the computed one, validating the use of the apparatus as a variable gravity facility. In the vicinity of the levitation point (where magnetic forces exactly compensate Earth's gravity), the computed axial component of the acceleration is found to be quadratic in z, whereas its radial component is proportional to the distance to the axis, which explains the gas-liquid patterns observed near the critical point.

Chemistry of the Apollo 11 highland component

NASA Technical Reports Server (NTRS)

Laul, J. C.; Papike, J. J.; Simon, S. B.; Shearer, C. K.

1983-01-01

Thirty-eight Apollo 11 lunar highland fragments from coarse fines 10085 have been subjected to petrologic and chemical study. Six major chemical groups are identified: (a) high-K KREEP; (b) anorthosite with a 10X chondrite positive Eu anomaly and anorthosite with 30X positive Eu anomaly; (c) ANT; (d) LKFM; (e) anorthositic gabbro with no Eu anomaly, with a positive Eu anomaly, and with a negative Eu anomaly; and (f) dominant Highland component, 2X-10X chondrite with a positive 10X-14X Eu anomaly. Newly recognized groups are presented based on the REE patterns: (a) ANT group with 5X La and a 22X positive Eu anomaly; (b) 10X flat with 14X positive Eu anomaly; and (c) 2-3X flat with a 10X positive Eu anomaly. The highland suite is very low in K and REE, and is overall quite similar to the Apollo 16 suite.

Distribution of the cystine/glutamate antiporter system xc- in the brain, kidney, and duodenum.

PubMed

Burdo, Joseph; Dargusch, Richard; Schubert, David

2006-05-01

System x(c)(-), one of the main transporters responsible for central nervous system cystine transport, is comprised of two subunits, xCT and 4F2hc. The transport of cystine into cells is rate limiting for glutathione synthesis, the major antioxidant and redox cofactor in the brain. Alterations in glutathione status are prevalent in numerous neurodegenerative diseases, emphasizing the importance of proper cystine homeostasis. However, the distribution of xCT and 4F2hc within the brain and other areas has not been described. Using specific antibodies, both xCT and 4F2hc were localized predominantly to neurons in the mouse and human brain, but some glial cells were labeled as well. Border areas between the brain proper and periphery including the vascular endothelial cells, ependymal cells, choroid plexus, and leptomeninges were also highly positive for the system x(c)(-) components. xCT and 4F2hc are also present at the brush border membranes in the kidney and duodenum. These results indicate that system x(c)(-) is likely to play a role in cellular health throughout many areas of the brain as well as other organs by maintaining intracellular cystine levels, thereby resulting in low levels of oxidative stress.

Multi-dimensional, fully implicit, exactly conserving electromagnetic particle-in-cell simulations in curvilinear geometry

NASA Astrophysics Data System (ADS)

Chen, Guangye; Chacon, Luis

2015-11-01

We discuss a new, conservative, fully implicit 2D3V Vlasov-Darwin particle-in-cell algorithm in curvilinear geometry for non-radiative, electromagnetic kinetic plasma simulations. Unlike standard explicit PIC schemes, fully implicit PIC algorithms are unconditionally stable and allow exact discrete energy and charge conservation. Here, we extend these algorithms to curvilinear geometry. The algorithm retains its exact conservation properties in curvilinear grids. The nonlinear iteration is effectively accelerated with a fluid preconditioner for weakly to modestly magnetized plasmas, which allows efficient use of large timesteps, O (√{mi/me}c/veT) larger than the explicit CFL. In this presentation, we will introduce the main algorithmic components of the approach, and demonstrate the accuracy and efficiency properties of the algorithm with various numerical experiments in 1D (slow shock) and 2D (island coalescense).

Purification and characterization of antimicrobial peptides from fish isolate Carnobacterium maltaromaticum C2: Carnobacteriocin X and carnolysins A1 and A2.

PubMed

Tulini, Fabricio L; Lohans, Christopher T; Bordon, Karla C F; Zheng, Jing; Arantes, Eliane C; Vederas, John C; De Martinis, Elaine C P

2014-03-03

Carnobacterium maltaromaticum C2, isolated from Brazilian smoked fish (Surubim, Pseudoplatystoma sp.), was found to exert antimicrobial activity against Listeria monocytogenes, an important foodborne pathogen. In this study, the bacteriocins produced by C. maltaromaticum C2 were purified via an extraction with XAD-16 resin, a C18 solid phase extraction, followed by reversed-phase fast protein liquid chromatography. The purified active fractions were characterized using tandem mass spectrometry, permitting the identification of multiple bacteriocins. Carnobacteriocins BM1, B1, and a variant of carnobacteriocin B2 were all found, providing much of the antilisterial activity. Additionally, we herein report the first isolation of the previously predicted antimicrobial peptide carnobacteriocin X. Moreover, C. maltaromaticum C2 produces a novel two-component lantibiotic, termed carnolysin, homologous to enterococcal cytolysin. This lantibiotic is antimicrobially inactive when tested against the non-bacteriocinogenic strain C. maltaromaticum A9b-, likely requiring an additional proteolytic cleavage to reach maturity. Copyright © 2013 Elsevier B.V. All rights reserved.

Anti-parallel versus Component Reconnection at the Earth Magnetopause

NASA Astrophysics Data System (ADS)

Trattner, K. J.; Burch, J. L.; Ergun, R.; Eriksson, S.; Fuselier, S. A.; Gomez, R. G.; Giles, B. L.; Steven, P. M.; Strangeway, R. J.; Wilder, F. D.

2017-12-01

Magnetic reconnection at the Earth's magnetopause is discussed and has been observed as anti-parallel and component reconnection. While anti-parallel reconnection occurs between magnetic field lines of (ideally) exactly opposite polarity, component reconnection (also known as the tilted X-line model) predicts the location of the reconnection line to be anchored at the sub-solar point and extend continuously along the dayside magnetopause, while the ratio of the IMF By/Bz component determines the tilt of the X-line relative to the equatorial plane.A reconnection location prediction model known as the Maximum Magnetic Shear Model combines these two scenarios. The model predicts that during dominant IMF By conditions, magnetic reconnection occurs along an extended line across the dayside magnetopause but generally not through the sub-solar point (as predicted in the original tilted X-line model). Rather, the line follows the ridge of maximum magnetic shear across the dayside magnetopause. In contrast, for dominant IMF Bz (155° < tan-1(By/Bz) < 205°) or dominant Bx (|Bx|/B > 0.7) conditions, the reconnection location bifurcates and traces to high-latitudes, in close agreement with the anti-parallel reconnection scenario, and does not cross the dayside magnetopause as a single tilted reconnection line. Using observations from the Magnetospheric MultiScale missions during a magnetopause crossing when the IMF rotated from an dominate IMF BZ to a dominant IMF BY field we will investigate when the transition between the anti-parallel and tilted X-line scenarios occurs.

Spatial extent of branching Brownian motion

NASA Astrophysics Data System (ADS)

Ramola, Kabir; Majumdar, Satya N.; Schehr, Grégory

2015-04-01

We study the one-dimensional branching Brownian motion starting at the origin and investigate the correlation between the rightmost (Xmax≥0 ) and leftmost (Xmin≤0 ) visited sites up to time t . At each time step the existing particles in the system either diffuse (with diffusion constant D ), die (with rate a ), or split into two particles (with rate b ). We focus on the regime b ≤a where these two extreme values Xmax and Xmin are strongly correlated. We show that at large time t , the joint probability distribution function (PDF) of the two extreme points becomes stationary P (X ,Y ,t →∞ )→p (X ,Y ) . Our exact results for p (X ,Y ) demonstrate that the correlation between Xmax and Xmin is nonzero, even in the stationary state. From this joint PDF, we compute exactly the stationary PDF p (ζ ) of the (dimensionless) span ζ =(Xmax-Xmin) /√{D /b } , which is the distance between the rightmost and leftmost visited sites. This span distribution is characterized by a linear behavior p (ζ ) ˜1/2 (1 +Δ ) ζ for small spans, with Δ =(a/b -1 ) . In the critical case (Δ =0 ) this distribution has a nontrivial power law tail p (ζ ) ˜8 π √{3 }/ζ3 for large spans. On the other hand, in the subcritical case (Δ >0 ), we show that the span distribution decays exponentially as p (ζ ) ˜(A2/2 ) ζ exp(-√{Δ }ζ ) for large spans, where A is a nontrivial function of Δ , which we compute exactly. We show that these asymptotic behaviors carry the signatures of the correlation between Xmax and Xmin. Finally we verify our results via direct Monte Carlo simulations.

The Born-again Planetary Nebula A78: An X-Ray Twin of A30

NASA Astrophysics Data System (ADS)

Toalá, J. A.; Guerrero, M. A.; Todt, H.; Hamann, W.-R.; Chu, Y.-H.; Gruendl, R. A.; Schönberner, D.; Oskinova, L. M.; Marquez-Lugo, R. A.; Fang, X.; Ramos-Larios, G.

2015-01-01

We present the XMM-Newton discovery of X-ray emission from the planetary nebula (PN) A78, the second born-again PN detected in X-rays apart from A30. These two PNe share similar spectral and morphological characteristics: they harbor diffuse soft X-ray emission associated with the interaction between the H-poor ejecta and the current fast stellar wind and a point-like source at the position of the central star (CSPN). We present the spectral analysis of the CSPN, using for the first time an NLTE code for expanding atmospheres that takes line blanketing into account for the UV and optical spectra. The wind abundances are used for the X-ray spectral analysis of the CSPN and the diffuse emission. The X-ray emission from the CSPN in A78 can be modeled by a single C VI emission line, while the X-ray emission from its diffuse component is better described by an optically thin plasma emission model with a temperature of kT = 0.088 keV (T ≈ 1.0 × 106 K). We estimate X-ray luminosities in the 0.2-2.0 keV energy band of L X, CSPN = (1.2 ± 0.3) × 1031 erg s-1 and L X, DIFF = (9.2 ± 2.3) × 1030 erg s-1 for the CSPN and diffuse components, respectively.

Mössbauer effect studies of Fe-C combinatorially sputtered thin films

NASA Astrophysics Data System (ADS)

Al-Maghrabi, M. A.; Sanderson, R. J.; Dunlap, R. A.

2013-08-01

Alloys of Fe1- x C x were produced using combinatorial sputtering methods. The composition of the films as a function of position was determined using electron microprobe techniques and the results have shown that a composition range of about 0.35 < x < 0.75 was obtained. X-ray diffraction methods were employed to study the structure of the thin films and showed that all portions of the films were amorphous or nanostructured. Room temperature 57Fe Mössbauer spectroscopy was utilized to study the atomic environment around the Fe atoms. Hyperfine field distributions of ferromagnetic alloys, as extracted from the Mössbauer analysis, suggested the existence of two classes of Fe sites: (1) classes of Fe sites that have primarily Fe neighbours corresponding to a high-field component in the distribution and (2) classes of Fe sites that have a greater number of C neighbours, corresponding to a low-field component. The magnetic splitting decreased as a function of increasing carbon concentration and alloys with x greater than about 0.68 were primarily paramagnetic in nature. These spectra exhibited distributions of quadrupole splitting with mean splitting in excess of 1.0 mm/s. This indicates a higher degree of local asymmetry around the Fe sites than typically seen in other Fe-metalloid systems.

On the exact solvability of the anisotropic central spin model: An operator approach

NASA Astrophysics Data System (ADS)

Wu, Ning

2018-07-01

Using an operator approach based on a commutator scheme that has been previously applied to Richardson's reduced BCS model and the inhomogeneous Dicke model, we obtain general exact solvability requirements for an anisotropic central spin model with XXZ-type hyperfine coupling between the central spin and the spin bath, without any prior knowledge of integrability of the model. We outline basic steps of the usage of the operators approach, and pedagogically summarize them into two Lemmas and two Constraints. Through a step-by-step construction of the eigen-problem, we show that the condition gj‧2 - gj2 = c naturally arises for the model to be exactly solvable, where c is a constant independent of the bath-spin index j, and {gj } and { gj‧ } are the longitudinal and transverse hyperfine interactions, respectively. The obtained conditions and the resulting Bethe ansatz equations are consistent with that in previous literature.

Molecular and electronic structure, magnetotropicity and absorption spectra of benzene-trinuclear copper(I) and silver(I) trihalide columnar binary stacks.

PubMed

Tsipis, A C; Stalikas, A V

2012-02-20

The molecular and electronic structures, stabilities, bonding features, magnetotropicity and absorption spectra of benzene-trinuclear Cu(I) and Ag(I) trihalide columnar binary stacks with the general formula [c-M(3)(μ(2)-X)(3)](n)(C(6)H(6))(m) (M = Cu, Ag; X = halide; n, m ≤ 2) have been investigated by means of electronic structure calculation methods. The interaction of c-M(3)(μ(2)-X)(3) clusters with one and two benzene molecules yields 1:1 and 1:2 binary stacks, while benzene sandwiched 2:1 stacks are formed upon interaction of two c-M(3)(μ(2)-X)(3) clusters with one benzene molecule. In all binary stacks the plane of the alternating c-M(3)(μ(2)-X)(3) and benzene components adopts an almost parallel orientation. The separation distance between the centroids of the benzene and the proximal c-M(3)(μ(2)-X)(3) metallic cluster found in the range 2.97-3.33 Å at the B97D/Def2-TZVP level is indicative of a π···π stacking interaction mode, for the centroid separation distance is very close to the sum of the van der Waals radii of Cu···C (3.10 Å) and Ag···C (3.44 Å). Energy decomposition analysis (EDA) at the SSB-D/TZP level revealed that the dominant term in the c-M(3)(μ(2)-X)(3)···C(6)H(6) interaction arises from dispersion and electrostatic forces while the covalent interactions are predicted to be negligible. On the other hand, charge decomposition analysis (CDA) illustrated very small charge transfer from C(6)H(6) toward the c-M(3)(μ(2)-X)(3) clusters, thus reflecting weak π-base/π-acid interactions which are further corroborated by the respective electrostatic potentials and the fact that the total dipole moment vector points to the center of the metallic ring of the c-M(3)(μ(2)-X)(3) cluster. The absorption spectra of all aromatic columnar binary stacks simulated by means of TD-DFT calculations showed strong absorptions in the UV region. The main features of the simulated absorption spectra are thoroughly analyzed, and assignments of the contributing electronic transitions are given. The magnetotropicity of the binary stacks evaluated by the NICS(zz)-scan curves indicated an enhancement of the diatropicity of the inorganic ring upon interaction with the aromatic benzene molecule. Noteworthy is the slight enhancement of the diatropicity of the benzene ring, particularly in the region between the interacting rings, probably due to the superposition (coupling) of the diamagnetic ring currents of the interacting aromatic ring systems.

Two-Dimensional Nb-Based M 4 C 3 Solid Solutions (MXenes)

DOE PAGES

Yang, Jian; Naguib, Michael; Ghidiu, Michael; ...

2015-10-15

Two new two-dimensional Nb 4C 3-based solid solutions (MXenes), (Nb 0.8,Ti 0.2) 4C 3T x and (Nb 0.8,Zr 0.2) 4C 3T x (where T is a surface termination) were synthesizedas confirmed by X-ray diffractionfrom their corresponding MAX phase precursors (Nb 0.8,Ti 0.2) 4AlC 3 and (Nb 0.8,Zr 0.2) 4AlC 3. In our report we discuss Zr-containing MXene. We also studied intercalation of Li ions into these two compositions, and Nb 4C 3T x in order to determine the potential of those materials for energy storage applications. Lithiation and delithiation peaks at 2.26 and 2.35 V, respectively, appeared in the casemore » of Nb 4C 3T x, but were not present in Nb 2CT x. After 20 cycles at a rate of C/4, the specific capacities of (Nb 0.8,Ti 0.2) 4C 3T xand (Nb 0.8,Ti 0.2) 4C 3T x were 158 and 132 mAh/g, respectively, both slightly lower than the capacity of Nb 4C 3T x.« less

Survival probability for a diffusive process on a growing domain

NASA Astrophysics Data System (ADS)

Simpson, Matthew J.; Sharp, Jesse A.; Baker, Ruth E.

2015-04-01

We consider the motion of a diffusive population on a growing domain, 0

Self-Replicating Quadratics

ERIC Educational Resources Information Center

Withers, Christopher S.; Nadarajah, Saralees

2012-01-01

We show that there are exactly four quadratic polynomials, Q(x) = x [superscript 2] + ax + b, such that (x[superscript 2] + ax + b) (x[superscript 2] - ax + b) = (x[superscript 4] + ax[superscript 2] + b). For n = 1, 2, ..., these quadratic polynomials can be written as the product of N = 2[superscript n] quadratic polynomials in x[superscript…

X-37 C-Sic CMC Control Surface Components Development [Status of the NASA/Boeing/USAF Orbital Vehicle and Related Efforts

NASA Technical Reports Server (NTRS)

Valentine, Peter G; Rivers, H. Kevin; Chen, Victor L.

2004-01-01

Carbon/Silicon-Carbide (C-Sic) ceramic matrix composite (CMC) flaperon and ruddervator control surface components are being developed for the X-37 Orbital Vehicle (OV). The results of the prior NASA LaRC led work, aimed at developing C-Sic flaperon and ruddervator components for the X-37, will be reviewed. The status of several on-going and/or planned NASA, USAF, and Boeing programs that will support the development of control surface components for the X-37 OV will also be reviewed. The overall design and development philosophy being employed to assemble a team(s) to develop both: (a) C-Sic hot structure control surface components for the X-37 OV, and (b) carbon-carbon (C-C) hot structure components (a risk-reduction backup option for the OV), will be presented.

Solutal Convection Around Growing Protein Crystal and Diffusional Purification in Space

NASA Technical Reports Server (NTRS)

Chernov, A. A.; Lee, C. P.

2002-01-01

This work theoretically addressed two subjects: 1) onset of convection, 2) distribution of impurities. Onset of convection was considered analytically and numerically. Crystal growth was characterized by slow surface incorporation kinetics, i.e. growth kinetic coefficient beta (cm/s) small as compared to the typical bulk diffusion rate, D(sub 1)/h, where D(sub 1) is diffusivity of major crystallizing protein and h is the crystal size. Scaling type analysis predicted two laws on how the convection rate, v, essentially the Peclet number, Pe exactly equal to vh/D(sub 1), depends on dimensionless kinetic coefficient a exactly equal to beta h/D(sub 1). Namely: Pe = C(sub 2/5)(aRa(sup 2/5)) and Pe = C(sub 1) aRa. Here, Reynolds number Ra = rho(sub 1)(sup 0)gh(sup 3)(rho(sub p) - rho(sub w))/rho(sup p)rho(sub 1)vD(sub 1), v being solution viscosity. The constants C(sub 2/5), exactly equal to 0.28 and C(sub 1) exactly equal to 10(exp -2) found from the full scale computer simulation for a cylindrical crystal inside big cylindrical vessel. The linear boundary conditions connecting protein and impurity concentration at the interface with the flux to/from the interface was applied. No-slip condition for Navier-Shocker equations was employed. With these conditions, flow and concentration distributions were calculated. Validity of the Pe(Ra) dependencies follows for wide range of parameters for which numerical calculations have been accomplished and presented by various points.

Condensates of p-wave pairs are exact solutions for rotating two-component Bose gases.

PubMed

Papenbrock, T; Reimann, S M; Kavoulakis, G M

2012-02-17

We derive exact analytical results for the wave functions and energies of harmonically trapped two-component Bose-Einstein condensates with weakly repulsive interactions under rotation. The isospin symmetric wave functions are universal and do not depend on the matrix elements of the two-body interaction. The comparison with the results from numerical diagonalization shows that the ground state and low-lying excitations consist of condensates of p-wave pairs for repulsive contact interactions, Coulomb interactions, and the repulsive interactions between aligned dipoles.

Semiconducting perovskites (2-XC6H4C2H4NH3)2SnI4 (X = F, Cl, Br): steric interaction between the organic and inorganic layers.

PubMed

Xu, Zhengtao; Mitzi, David B; Dimitrakopoulos, Christos D; Maxcy, Karen R

2003-03-24

Two new semiconducting hybrid perovskites based on 2-substituted phenethylammonium cations, (2-XC(6)H(4)C(2)H(4)NH(3))(2)SnI(4) (X = Br, Cl), are characterized and compared with the previously reported X = F compound, with a focus on the steric interaction between the organic and inorganic components. The crystal structure of (2-ClC(6)H(4)C(2)H(4)NH(3))(2)SnI(4) is solved in a disordered subcell [C2/m, a = 33.781(7) A, b = 6.178(1) A, c = 6.190(1) A, beta = 90.42(3)(o), and Z = 2]. The structure is similar to the known (2-FC(6)H(4)C(2)H(4)NH(3))(2)SnI(4) structure with regard to both the conformation of the organic cations and the bonding features of the inorganic sheet. The (2-BrC(6)H(4)C(2)H(4)NH(3))(2)SnI(4) system adopts a fully ordered monoclinic cell [P2(1)/c, a = 18.540(2) A, b = 8.3443(7) A, c = 8.7795(7) A, beta = 93.039(1)(o), and Z = 2]. The organic cation adopts the anti conformation, instead of the gauche conformation observed in the X = F and Cl compounds, apparently because of the need to accommodate the additional volume of the bromo group. The steric effect of the bromo group also impacts the perovskite sheet, causing notable distortions, such as a compressed Sn-I-Sn bond angle (148.7(o), as compared with the average values of 153.3 and 154.8(o) for the fluoro and chloro compounds, respectively). The optical absorption features a substantial blue shift (lowest exciton peak: 557 nm, 2.23 eV) relative to the spectra of the fluoro and chloro compounds (588 and 586 nm, respectively). Also presented are transport properties for thin-film field-effect transistors (TFTs) based on spin-coated films of the two hybrid semiconductors.

Angular Motion of a Spinning Projectile with a Viscous Liquid Payload

DTIC Science & Technology

1982-08-01

with the external moments neglected. (I + 1 L ) - i$(I +1 x) = (2.9) y L) x Lx 11. C. 11. A,.pWThz, " influence of MA’oovin ,Tter•z’aria’i8 on Angular...viscous influence of the lateral wall exactly without the use of a boundary layer approximation. Its results for fully-filled cyl- inders should...Tner’tial ,•,rm on the Free Fligtht Motion of a Body Conacziinng Several L*.,,Wentrictalv ! Located, Liq:did- Filled Cylinders," BRL Report 1551, September

Anhydrous versus hydrated N4-substituted 1H-pyrazolo[3,4-d]pyrimidine-4,6-diamines: hydrogen bonding in two and three dimensions.

PubMed

Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Marchal, Antonio; Nogueras, Manuel; Low, John N; Glidewell, Christopher

2008-10-01

Ten new N(4)-substituted 1H-pyrazolo[3,4-d]pyrimidine-4,6-diamines have been synthesized and the structures of nine of them are reported here, falling into two clear groups, those which are stoichiometric hydrates and those which crystallize in solvent-free forms. In each of N(4)-methyl-N(4)-phenyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine, C(12)H(12)N(6) (I), N(4)-cyclohexyl-N(4)-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine, C(12)H(18)N(6) (II), and N(4)-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine, C(11)H(9)ClN(6) (III), the molecules are linked into hydrogen-bonded sheets. The molecules of 2-{4-(6-amino-1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl}ethanol, C(11)H(17)N(7)O (IV), are linked into a three-dimensional framework, while the structure of N(4)-methyl-N(4)-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine monohydrate, C(13)H(14)N(6) x H(2)O (V), is only two-dimensional despite the presence of five independent hydrogen bonds. The stoichiometric hemihydrates N(4)-ethyl-N(4)-phenyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine hemihydrate, C(13)H(14)N(6) x 0.5 H(2)O (VI) and N(4)-(4-methoxyphenyl)-N(4)-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine hemihydrate, C(13)H(14)N(6)O x 0.5 H(2)O (VII), exhibit remarkably similar sheet structures, despite different space groups and Z' values, Z' = 0.5 in C2/c for (VI) and Z' = 1 in P1 for (VII). N(4)-4-Benzyl-N(4)-phenyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine monohydrate, C(18)H(16)N(6) x H(2)O (VIII), crystallizes with Z' = 2 in P2(1)/n, and the four independent molecular components are linked into sheets by a total of 11 intermolecular hydrogen bonds. The sheet structure in {4-(pyrrolidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine-6-amine} ethanol hemisolvate hemihydrate, C(9)H(12)N(6).0.5C(2)H(6)O x 0.5 H(2)O (IX), is built from the pyrimidine and water components only; it contains eight independent hydrogen bonds, and it very closely mimics the sheets in (VI) and (VII); the ethanol molecules are pendent from these sheets. The N(4)-alkyl-N(4)-aryl-4-aminopyrazolopyrimidine molecules in (I), (V)-(VIII) all adopt very similar conformations, dominated in each case by an intramolecular C-H...pi(arene) hydrogen bond: this interaction is absent from (III) where the molecular conformation is entirely different and probably dominated by the intermolecular hydrogen bonds.

Photometric study of two eclipsing binary stars: Light curve analysis and system parameters for GU CMa and SWASP J011732.10+525204.9

NASA Astrophysics Data System (ADS)

Shokry, A.; Saad, S. M.; Hamdy, M. A.; Beheary, M. M.; Abolazm, M. S.; Gadallah, K. A.; El-Depsey, M. H.; Al-Gazzar, M. S.

2018-02-01

A new photometric study of two eclipsing binary systems (GU CMa and SWASP J011732.10+525204.9) is presented. The accepted solutions of analyzing the light curves revealed that GU CMa is a semi-detached system consisting of two early spectral type components, (B2 and B2.5) while SWASP J011732.10+525204.9 is a contact binary with two late type components (K2 and M1). The primary component of each system is the massive one. The geometric configuration indicates that SWASP J011732.10+525204.9 passes through a very critical phase in which each component exactly fills its limited lobe with zero fill out ratio. New times of minimum and the absolute physical parameters for each system are determined. The evolution status for each system has been investigated.

Scintillation and optical properties of TiO2-ZnO-Al2O3-B2O3 glasses and glass-ceramics

NASA Astrophysics Data System (ADS)

Usui, Yuki; Okada, Go; Kawaguchi, Noriaki; Masai, Hirokazu; Yanagida, Takayuki

2018-04-01

13TiO2-xZnO-17Al2O3-(70 - x)B2O3 (x = 17, 26, and 35) glasses were prepared by a melt-quenching method, and the obtained glass samples were heated at temperatures 30 °C above the glass transition temperature of corresponding glass in order to obtain glass-ceramics. The obtained glass-ceramic samples were confirmed to have anatase (x = 17) and rutile (x = 26 and 35) phases from X-ray diffraction analysis. Then, the scintillation and optical properties were evaluated and discussed the difference between the glass-ceramic and glass samples. In the scintillation spectra under X-ray irradiation, a broad emission peak was observed around 450 nm in all the samples, and the new peak around 500 nm appeared in the anatase-precipitated glass-ceramic. The intensities of the glass-ceramic samples were enhanced in comparison with the corresponding glasses because the glass-ceramics includes TiO2 crystallites with defect centers which act as effective emission centers. The scintillation decay curves of the glass and glass-ceramic samples were approximated by one and a sum of two exponential decay functions, respectively. The faster component of glass and glass-ceramic samples would be caused by the host emission, and the slower component of glass-ceramic sample would be ascribed to the emission of Ti3+.

Evaluation of components of X-ray irradiated 7-valent pneumococcal conjugate vaccine and pneumococcal vaccine polyvalent and X-ray and gamma-ray irradiated acellular pertussis component of DTaP vaccine products

NASA Astrophysics Data System (ADS)

May, J. C.; Rey, L.; Lee, Chi-Jen; Arciniega, Juan

2004-09-01

Samples of pneumococcal vaccine polyvalent, 7-valent pneumococcal conjugate vaccine, and two different diphtheria and tetanus toxoids and acellular pertussis vaccines adsorbed were irradiated with X-rays and/or gamma-rays (Co-60). Mouse IgG and IgM antibody responses (ELISA) for types 9V, 14, 18C, and 19F pneumococcal polysaccharides and conjugates indicated that the polysaccharides were more tolerant of the radiation than the conjugates. The mouse antibody response for the detoxified pertussis toxin (PT) antigen, filamentous hemagglutinin antigen (FHA), pertactin (PRN), and fimbriae types 2 and 3 (FIM) antigens for the appropriate vaccine type indicated that the antibody response was not significantly changed in the 25 kGy X-ray irradiated vaccines frozen in liquid nitrogen compared to the control vaccine.

Synthesis, crystal structure investigation and magnetism of the complex metal-rich boride series Crx(Rh1-yRuy)7-xB3 (x=0.88-1; y=0-1) with Th7Fe3-type structure

NASA Astrophysics Data System (ADS)

Misse, Patrick R. N.; Mbarki, Mohammed; Fokwa, Boniface P. T.

2012-08-01

Powder samples and single crystals of the new complex boride series Crx(Rh1-yRuy)7-xB3 (x=0.88-1; y=0-1) have been synthesized by arc-melting the elements under purified argon atmosphere on a water-cooled copper crucible. The products, which have metallic luster, were structurally characterized by single-crystal and powder X-ray diffraction as well as EDX measurements. Within the whole solid solution range the hexagonal Th7Fe3 structure type (space group P63mc, no. 186, Z=2) was identified. Single-crystal structure refinement results indicate the presence of chromium at two sites (6c and 2b) of the available three metal Wyckoff sites, with a pronounced preference for the 6c site. An unexpected Rh/Ru site preference was found in the Ru-rich region only, leading to two different magnetic behaviors in the solid solution: The Rh-rich region shows a temperature-independent (Pauli) paramagnetism whereas an additional temperature-dependent paramagnetic component is found in the Ru-rich region.

Natural convection immersion cooling of an array of vertically oriented heated protrusions in an enclosure filled with a dielectric liquid: Effects of enclosure width, Prandtl number and component orientation

NASA Astrophysics Data System (ADS)

Matthews, Scott T.

1991-12-01

The natural convection heat transfer characteristics of a 3 x 3 array of vertically oriented heated protrusions, immersed in a dielectric liquid, were investigated. Aluminum blocks, 24 x 8 x 6 mm, were used to simulate 20 pin dual in-line packages. Surface temperature measurements of the components were made by imbedding copper-constantan thermocouples below the surface of each component face. A constant heat flux was provided to each component using an Inconel foil heating element. Power supplied to each component varied from 0.115 to 2.90 W. The aluminum blocks were mounted on a plexiglass substrate to form a 3 x 3 array of simulated electronic components. The circuit board containing the components was placed in a rectangular, plexiglass enclosure with inner dimensions: L = 203.2 mm H = 152.0 mm W = 82.6 mm, and a wall thickness of 25.4 mm. The upper boundary was maintained at 10 C, while all other exterior surfaces were insulated. The chamber width, measured from the surface of the circuit board to the opposite, inner wall of the enclosure, was varied from 42 to 7 mm by inserting plexiglass spacers into the enclosure. Two dielectric liquids, FC-75 and FC-43, were used as working fluids. Nondimensional data from this study was combined with the data obtained for a horizontal component orientation, to develop an empirical correlation which predicts the Nusselt number as a function of Rayleigh number, Prandtl number, component orientation, and chamber width.

Two-dimensional titanium carbonitrides and their hydroxylated derivatives: Structural, electronic properties and stability of MXenes Ti3C2-xNx(OH)2 from DFTB calculations

NASA Astrophysics Data System (ADS)

Enyashin, A. N.; Ivanovskii, A. L.

2013-11-01

The structural, electronic properties and stability of the new MXene compounds—two-dimensional pristine carbonitrides Ti3C2-xNx and their hydroxylated derivatives Ti3C2-xNx(OH)2 are studied by means of DFTB calculations. The genesis of the properties is discussed in the sequence: binary MXenes Ti3C2 (Ti3N2)→hydroxylated forms Ti3C2(OH)2 (Ti3N2(OH)2)→pristine MXene Ti3C2-xNx→hydroxylated Ti3C2-xNx(OH)2. All examined materials are metallic-like. The most favorable type of OH-covering is presented by the occupation of the hollow sites between three neighboring carbon (nitrogen) atoms. Two-dimensional MXene carbonitrides with random distribution of C and N atoms are found to be thermodynamically more favorable.

Intermolecular interactions of trifluorohalomethanes with Lewis bases in the gas phase: an ab initio study.

PubMed

Wang, Yi-Siang; Yin, Chih-Chien; Chao, Sheng D

2014-10-07

We perform an ab initio computational study of molecular complexes with the general formula CF3X-B that involve one trifluorohalomethane CF3X (X = Cl or Br) and one of a series of Lewis bases B in the gas phase. The Lewis bases are so chosen that they provide a range of electron-donating abilities for comparison. Based on the characteristics of their electron pairs, we consider the Lewis bases with a single n-pair (NH3 and PH3), two n-pairs (H2O and H2S), two n-pairs with an unsaturated bond (H2CO and H2CS), and a single π-pair (C2H4) and two π-pairs (C2H2). The aim is to systematically investigate the influence of the electron pair characteristics and the central atom substitution effects on the geometries and energetics of the formed complexes. The counterpoise-corrected supermolecule MP2 and coupled-cluster single double with perturbative triple [CCSD(T)] levels of theory have been employed, together with a series of basis sets up to aug-cc-pVTZ. The angular and radial configurations, the binding energies, and the electrostatic potentials of the stable complexes have been compared and discussed as the Lewis base varies. For those complexes where halogen bonding plays a significant role, the calculated geometries and energetics are consistent with the σ-hole model. Upon formation of stable complexes, the C-X bond lengths shorten, while the C-X vibrational frequencies increase, thus rendering blueshifting halogen bonds. The central atom substitution usually enlarges the intermolecular bond distances while it reduces the net charge transfers, thus weakening the bond strengths. The analysis based on the σ-hole model is grossly reliable but requires suitable modifications incorporating the central atom substitution effects, in particular, when interaction components other than electrostatic contributions are involved.

The C2 protein of tomato leaf curl Taiwan virus is a pathogenicity determinant that interferes with expression of host genes encoding chromomethylases.

PubMed

Tu, Yu-Ching; Tsai, Wen-Shi; Wei, Jyuan-Yu; Chang, Kai-Ya; Tien, Chang-Ching; Hsiao, Hui-Yu; Fu, Shih-Feng

2017-12-01

Tomato (Solanum lycopersicum) is one of the most important crops worldwide and is severely affected by geminiviruses. Tomato leaf curl Taiwan virus (ToLCTWV), belonging to the geminiviruses, was isolated in Taiwan and causes tremendous crop loss. The geminivirus-encoded C2 proteins are crucial for a successful interaction between the virus and host plants. However, the exact functions of the viral C2 protein of ToLCTWV have not been investigated. We analyzed the molecular function(s) of the C2 protein by transient or stable expression in tomato cv. Micro-Tom and Nicotiana benthamiana. Severe stunting of tomato and N. benthamiana plants infected with ToLCTWV was observed. Expression of ToLCTWV C2-green fluorescent protein (GFP) fusion protein was predominately located in the nucleus and contributed to activation of a coat protein promoter. Notably, the C2-GFP fluorescence was distributed in nuclear aggregates. Tomato and N. benthamiana plants inoculated with potato virus X (PVX)-C2 displayed chlorotic lesions and stunted growth. PVX-C2 elicited hypersensitive responses accompanied by production of reactive oxygen species in N. benthamiana plants, which suggests that the viral C2 was a potential recognition target to induce host-defense responses. In tomato and N. benthamiana, ToLCTWV C2 was found to interfere with expression of genes encoding chromomethylases. N. benthamiana plants with suppressed NbCMT3-2 expression were more susceptible to ToLCTWV infection. Transgenic N. benthamiana plants expressing the C2 protein showed decreased expression of the NbCMT3-2 gene and pNbCMT3-2::GUS (β-glucuronidase) promoter activity. C2 protein is an important pathogenicity determinant of ToLCTWV and interferes with host components involved in DNA methylation. © 2017 Scandinavian Plant Physiology Society.

Characterization of an ntrX mutant of Neisseria gonorrhoeae reveals a response regulator that controls expression of respiratory enzymes in oxidase-positive proteobacteria.

PubMed

Atack, John M; Srikhanta, Yogitha N; Djoko, Karrera Y; Welch, Jessica P; Hasri, Norain H M; Steichen, Christopher T; Vanden Hoven, Rachel N; Grimmond, Sean M; Othman, Dk Seti Maimonah Pg; Kappler, Ulrike; Apicella, Michael A; Jennings, Michael P; Edwards, Jennifer L; McEwan, Alastair G

2013-06-01

NtrYX is a sensor-histidine kinase/response regulator two-component system that has had limited characterization in a small number of Alphaproteobacteria. Phylogenetic analysis of the response regulator NtrX showed that this two-component system is extensively distributed across the bacterial domain, and it is present in a variety of Betaproteobacteria, including the human pathogen Neisseria gonorrhoeae. Microarray analysis revealed that the expression of several components of the respiratory chain was reduced in an N. gonorrhoeae ntrX mutant compared to that in the isogenic wild-type (WT) strain 1291. These included the cytochrome c oxidase subunit (ccoP), nitrite reductase (aniA), and nitric oxide reductase (norB). Enzyme activity assays showed decreased cytochrome oxidase and nitrite reductase activities in the ntrX mutant, consistent with microarray data. N. gonorrhoeae ntrX mutants had reduced capacity to survive inside primary cervical cells compared to the wild type, and although they retained the ability to form a biofilm, they exhibited reduced survival within the biofilm compared to wild-type cells, as indicated by LIVE/DEAD staining. Analyses of an ntrX mutant in a representative alphaproteobacterium, Rhodobacter capsulatus, showed that cytochrome oxidase activity was also reduced compared to that in the wild-type strain SB1003. Taken together, these data provide evidence that the NtrYX two-component system may be a key regulator in the expression of respiratory enzymes and, in particular, cytochrome c oxidase, across a wide range of proteobacteria, including a variety of bacterial pathogens.

From Trioleoyl glycerol to extra virgin olive oil through multicomponent triacylglycerol mixtures: Crystallization and polymorphic transformation examined with differential scanning calorimetry and X-ray diffration techniques.

PubMed

Bayés-García, L; Calvet, T; Cuevas-Diarte, M A; Ueno, S

2017-09-01

The polymorphic crystallization and transformation behavior of extra virgin olive oil (EVOO) was examined by using differential scanning calorimetry (DSC) and X-ray diffraction with both laboratory-scale (XRD) and synchrotron radiation source (SR-XRD). The complex behavior observed was studied by previously analyzing mixtures composed by its main 2 to 6 triacylglycerol (TAG) components. Thus, component TAGs were successively added to simulate EVOO composition, until reaching a 6 TAGs mixture, composed by trioleoyl glycerol (OOO), 1-palmitoyl-2,3-dioleoyl glycerol (POO), 1,2-dioleoyl-3-linoleoyl glycerol (OOL), 1-palmitoyl-2-oleoyl-3-linoleoyl glycerol (POL), 1,2-dipalmitoyl-3-oleoyl glycerol (PPO) and 1-stearoyl-2,3-dioleoyl glycerol (SOO). Molten samples were cooled from 25°C to -80°C at a controlled rate of 2°C/min and subsequently heated at the same rate. The polymorphic behavior observed in multicomponent TAG mixtures was interpreted by considering three main groups of TAGs with different molecular structures: triunsaturated OOO and OOL, saturated-unsaturated-unsaturated POO, POL and SOO, and saturated-saturated-unsaturated PPO. As confirmed by our previous work, TAGs belonging to the same structural group displayed a highly similar polymorphic behavior. EVOO exhibited two different β'-2L polymorphic forms (β' 2 -2L and β' 1 -2L), which transformed into β'-3L when heated. Equivalent polymorphic pathways were detected when the same experimental conditions were applied to the 6 TAG components mixture. Hence, minor components may not exert a strong influence in this case. Copyright © 2017 Elsevier Ltd. All rights reserved.

Usefulness of hepatitis C virus RNA counts by second generation HCV bDNA-probe in chronic hepatitis C based on the HCV genotype.

PubMed

Kobayashi, M; Kumada, H; Arase, Y; Chayama, K; Kobayashi, M; Tsubota, A; Koida, I; Saitoh, S; Suzuki, Y; Murashima, N; Ikeda, K; Miyano, Y; Mizoshita, K; Matsuda, M; Koike, H; Hashimoto, M

1998-04-01

Detection of hepatitis C virus (HCV) RNA by a second generation (ver 2) HCV bDNA-probe method (bDNA-probe) was compared with detection by the first generation (ver 1) assay. The two assays were performed simultaneously with the same serum samples of HCV genotypes 1b, 2a, 2b, 3a, and 3b. The positive rates with ver 1 were 82% for HCV genotype 1b (type 1b), 57.6% for HCV genotype 2a (type 2a), 75.0% for HCV genotype 2b (type 2b), 55.6% for HCV genotype 3a (type 3a), and 93.8% for HCV genotype 3b (type 3b). The positive rates with ver 2 were 95.0% for type 1b, 93.9% for type 2a, 83.3% for type 2b, 100% for type 3a, and 93.8% for type 3b. With Fisher's exact test, the detection rate for type 2a was significantly higher (P = 0.001) with ver 2 than with ver 1. We obtained regression lines using the HCV counts measured by bDNA-probe on the y axis and the HCV counts obtained by an HCV reverse transcriptase (RT)-competitive polymerase chain reaction method (competitive PCR) on the x axis. The gradients for types 1b, 2a, and 3b were greater with ver 2 compared to ver 1. The gradients for types 2a and 3b were the highest: for type 2a, y = 0.135x + 0.6 with ver 1 and y = 0.248x + 0.1 with ver 2; for type 3b, y = 0.366x + 0.1 with ver 1 and y = 0.727x + 0.3 for ver 2. In addition, HCV-RNA counts for all the genotypes tested in this study were significantly higher with ver 2 than with ver 1. Hence, we conclude that ver 2 of the bDNA-probe measures HCV-RNA counts closer to those obtained with competitive PCR than the ver 1 assay.

Strain-induced tetragonal distortions and multiferroic properties in polycrystalline Sr 1 - x B a x Mn O 3 ( x = 0.43 - 0.45 ) perovskites

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

Somaily, H.; Kolesnik, S.; Mais, J.

Here, we report a comprehensive structure-property phase diagram of unique single-ion type-1 multiferroic pseudocubic Sr 1-xBa xMnO 3 perovskites. Employing a specially designed multi-step reduction-oxidation synthesis technique, we describe the successful synthesis of previously unknown Sr 1-xBa xMnO 3 compositions in their polycrystalline form with a significantly extended Ba solubility limit that is only rivaled by a very limited number of crystals and thin films grown under non-equilibrium conditions. Understanding the multiferroic interplay with structure in Sr 1-xBa xMnO 3 is of great importance as it opens the door wide to the development of newer materials from the parent (AA’)(BB’)more » O 3 system with enhanced properties. To this end, using a combination of time-of-flight neutron and synchrotron x-ray scattering techniques, we determined the exact structures and quantified the Mn and oxygen polar distortions above and below T C and T N. In its ferroelectric state, the system crystalizes in the noncentrosymmetric tetragonal P4mm space group which gives rise to a large electric dipole moment P s, in the z-direction, of 18.4 and 29.5 µC/cm 2 for x = 0.43 and 0.45, respectively. The two independently driven ferroelectric and magnetic order parameters are single-handedly accommodated by the Mn sublattice leading to a novel strain-assisted multiferroic behavior in agreement with many theoretical predictions. Our neutron diffraction results demonstrate the large and tunable suppression of the ferroelectric order at the onset of AFM ordering and confirm the coexistence and strong coupling of the two ferroic orders below T N. The refined magnetic moments confirm the strong covalent bonding between Mn and the oxygen anions which is necessary for stabilizing the ferroelectric phase.« less

Strain-induced tetragonal distortions and multiferroic properties in polycrystalline Sr 1 - x B a x Mn O 3 ( x = 0.43 - 0.45 ) perovskites

DOE PAGES

Somaily, H.; Kolesnik, S.; Mais, J.; ...

2018-05-17

Here, we report a comprehensive structure-property phase diagram of unique single-ion type-1 multiferroic pseudocubic Sr 1-xBa xMnO 3 perovskites. Employing a specially designed multi-step reduction-oxidation synthesis technique, we describe the successful synthesis of previously unknown Sr 1-xBa xMnO 3 compositions in their polycrystalline form with a significantly extended Ba solubility limit that is only rivaled by a very limited number of crystals and thin films grown under non-equilibrium conditions. Understanding the multiferroic interplay with structure in Sr 1-xBa xMnO 3 is of great importance as it opens the door wide to the development of newer materials from the parent (AA’)(BB’)more » O 3 system with enhanced properties. To this end, using a combination of time-of-flight neutron and synchrotron x-ray scattering techniques, we determined the exact structures and quantified the Mn and oxygen polar distortions above and below T C and T N. In its ferroelectric state, the system crystalizes in the noncentrosymmetric tetragonal P4mm space group which gives rise to a large electric dipole moment P s, in the z-direction, of 18.4 and 29.5 µC/cm 2 for x = 0.43 and 0.45, respectively. The two independently driven ferroelectric and magnetic order parameters are single-handedly accommodated by the Mn sublattice leading to a novel strain-assisted multiferroic behavior in agreement with many theoretical predictions. Our neutron diffraction results demonstrate the large and tunable suppression of the ferroelectric order at the onset of AFM ordering and confirm the coexistence and strong coupling of the two ferroic orders below T N. The refined magnetic moments confirm the strong covalent bonding between Mn and the oxygen anions which is necessary for stabilizing the ferroelectric phase.« less

Exact phase boundaries and topological phase transitions of the X Y Z spin chain

NASA Astrophysics Data System (ADS)

Jafari, S. A.

2017-07-01

Within the block spin renormalization group, we give a very simple derivation of the exact phase boundaries of the X Y Z spin chain. First, we identify the Ising order along x ̂ or y ̂ as attractive renormalization group fixed points of the Kitaev chain. Then, in a global phase space composed of the anisotropy λ of the X Y interaction and the coupling Δ of the Δ σzσz interaction, we find that the above fixed points remain attractive in the two-dimesional parameter space. We therefore classify the gapped phases of the X Y Z spin chain as: (1) either attracted to the Ising limit of the Kitaev-chain, which in turn is characterized by winding number ±1 , depending on whether the Ising order parameter is along x ̂ or y ̂ directions; or (2) attracted to the charge density wave (CDW) phases of the underlying Jordan-Wigner fermions, which is characterized by zero winding number. We therefore establish that the exact phase boundaries of the X Y Z model in Baxter's solution indeed correspond to topological phase transitions. The topological nature of the phase transitions of the X Y Z model justifies why our analytical solution of the three-site problem that is at the core of the present renormalization group treatment is able to produce the exact phase boundaries of Baxter's solution. We argue that the distribution of the winding numbers between the three Ising phases is a matter of choice of the coordinate system, and therefore the CDW-Ising phase is entitled to host appropriate form of zero modes. We further observe that in the Kitaev-chain the renormalization group flow can be cast into a geometric progression of a properly identified parameter. We show that this new parameter is actually the size of the (Majorana) zero modes.

Double-winding Wilson loops in SU(N) Yang-Mills theory - A criterion for testing the confinement models -

NASA Astrophysics Data System (ADS)

Matsudo, Ryutaro; Kondo, Kei-Ichi; Shibata, Akihiro

2018-03-01

We examine how the average of double-winding Wilson loops depends on the number of color N in the SU(N) Yang-Mills theory. In the case where the two loops C1 and C2 are identical, we derive the exact operator relation which relates the doublewinding Wilson loop operator in the fundamental representation to that in the higher dimensional representations depending on N. By taking the average of the relation, we find that the difference-of-areas law for the area law falloff recently claimed for N = 2 is excluded for N ⩾ 3, provided that the string tension obeys the Casimir scaling for the higher representations. In the case where the two loops are distinct, we argue that the area law follows a novel law (N - 3)A1/(N - 1) + A2 with A1 and A2(A1 < A2) being the minimal areas spanned respectively by the loops C1 and C2, which is neither sum-ofareas (A1 + A2) nor difference-of-areas (A2 - A1) law when (N ⩾ 3). Indeed, this behavior can be confirmed in the two-dimensional SU(N) Yang-Mills theory exactly.

The number of measurements needed to obtain high reliability for traits related to enzymatic activities and photosynthetic compounds in soybean plants infected with Phakopsora pachyrhizi.

PubMed

Oliveira, Tássia Boeno de; Azevedo Peixoto, Leonardo de; Teodoro, Paulo Eduardo; Alvarenga, Amauri Alves de; Bhering, Leonardo Lopes; Campo, Clara Beatriz Hoffmann

2018-01-01

Asian rust affects the physiology of soybean plants and causes losses in yield. Repeatability coefficients may help breeders to know how many measurements are needed to obtain a suitable reliability for a target trait. Therefore, the objectives of this study were to determine the repeatability coefficients of 14 traits in soybean plants inoculated with Phakopsora pachyrhizi and to establish the minimum number of measurements needed to predict the breeding value with high accuracy. Experiments were performed in a 3x2 factorial arrangement with three treatments and two inoculations in a random block design. Repeatability coefficients, coefficients of determination and number of measurements needed to obtain a certain reliability were estimated using ANOVA, principal component analysis based on the covariance matrix and the correlation matrix, structural analysis and mixed model. It was observed that the principal component analysis based on the covariance matrix out-performed other methods for almost all traits. Significant differences were observed for all traits except internal CO2 concentration for the treatment effects. For the measurement effects, all traits were significantly different. In addition, significant differences were found for all Treatment x Measurement interaction traits except coumestrol, chitinase and chlorophyll content. Six measurements were suitable to obtain a coefficient of determination higher than 0.7 for all traits based on principal component analysis. The information obtained from this research will help breeders and physiologists determine exactly how many measurements are needed to evaluate each trait in soybean plants infected by P. pachyrhizi with a desirable reliability.

The number of measurements needed to obtain high reliability for traits related to enzymatic activities and photosynthetic compounds in soybean plants infected with Phakopsora pachyrhizi

PubMed Central

de Oliveira, Tássia Boeno; Teodoro, Paulo Eduardo; de Alvarenga, Amauri Alves; Bhering, Leonardo Lopes; Campo, Clara Beatriz Hoffmann

2018-01-01

Asian rust affects the physiology of soybean plants and causes losses in yield. Repeatability coefficients may help breeders to know how many measurements are needed to obtain a suitable reliability for a target trait. Therefore, the objectives of this study were to determine the repeatability coefficients of 14 traits in soybean plants inoculated with Phakopsora pachyrhizi and to establish the minimum number of measurements needed to predict the breeding value with high accuracy. Experiments were performed in a 3x2 factorial arrangement with three treatments and two inoculations in a random block design. Repeatability coefficients, coefficients of determination and number of measurements needed to obtain a certain reliability were estimated using ANOVA, principal component analysis based on the covariance matrix and the correlation matrix, structural analysis and mixed model. It was observed that the principal component analysis based on the covariance matrix out-performed other methods for almost all traits. Significant differences were observed for all traits except internal CO2 concentration for the treatment effects. For the measurement effects, all traits were significantly different. In addition, significant differences were found for all Treatment x Measurement interaction traits except coumestrol, chitinase and chlorophyll content. Six measurements were suitable to obtain a coefficient of determination higher than 0.7 for all traits based on principal component analysis. The information obtained from this research will help breeders and physiologists determine exactly how many measurements are needed to evaluate each trait in soybean plants infected by P. pachyrhizi with a desirable reliability. PMID:29438380

Orbital Roof Fractures as an Indicator for Concomitant Ocular Injury

DTIC Science & Technology

2017-11-12

between these two groups to indicate a statistically significant difference in mechanism of injury, subjective symptoms, CT and exam findings, and...using Pearson’s x2 test or Fisher’s exact test to indicate a statistically significant difference in mechanism of injury, subjective symptoms, CT and

Synthesis Of [2h, 13c] And [2h3, 13c]Methyl Aryl Sulfides

DOEpatents

Martinez, Rodolfo A.; Alvarez, Marc A.; Silks, III, Louis A.; Unkefer, Clifford J.

2004-03-30

The present invention is directed to labeled compounds, [.sup.2 H.sub.1, .sup.13 C], [.sup.2 H.sub.2, .sup.13 C] and [.sup.2 H.sub.3, .sup.13 C]methyl aryl sulfides wherein the .sup.13 C methyl group attached to the sulfur of the sulfide includes exactly one, two or three deuterium atoms and the aryl group is selected from the group consisting of 1-naphthyl, substituted 1-naphthyl, 2-naphthyl, substituted 2-naphthyl, and phenyl groups with the structure ##STR1## wherein R.sub.1, R.sub.2, R.sub.3, R.sub.4, and R.sub.5 are each independently, hydrogen, a C.sub.1 -C.sub.4 lower alkyl, a halogen, an amino group from the group consisting of NH.sub.2, NHR and NRR' where R and R' are each a C.sub.1 -C.sub.4 lower alkyl, a phenyl, or an alkoxy group. The present invention is also directed to processes of preparing [.sup.2 H.sub.1, .sup.13 C], [.sup.2 H.sub.2,.sup.13 C] and [.sup.2 H.sub.3, .sup.13 C]methyl aryl sulfides wherein the .sup.13 C methyl group attached to the sulfur of the sulfide includes exactly one, two or three deuterium atoms. The present invention is also directed to the labeled compounds of [.sup.2 H.sub.1, .sup.13 C]methyl iodide and [.sup.2 H.sub.2, .sup.13 C]methyl iodide.

Two-Dimensional One-Component Plasma on Flamm's Paraboloid

NASA Astrophysics Data System (ADS)

Fantoni, Riccardo; Téllez, Gabriel

2008-11-01

We study the classical non-relativistic two-dimensional one-component plasma at Coulomb coupling Γ=2 on the Riemannian surface known as Flamm's paraboloid which is obtained from the spatial part of the Schwarzschild metric. At this special value of the coupling constant, the statistical mechanics of the system are exactly solvable analytically. The Helmholtz free energy asymptotic expansion for the large system has been found. The density of the plasma, in the thermodynamic limit, has been carefully studied in various situations.

Magnetic structures and excitations in CePd2(Al,Ga)2 series: Development of the "vibron" states

NASA Astrophysics Data System (ADS)

Klicpera, M.; Boehm, M.; Doležal, P.; Mutka, H.; Koza, M. M.; Rols, S.; Adroja, D. T.; Puente Orench, I.; Rodríguez-Carvajal, J.; Javorský, P.

2017-02-01

CePd2Al2 -xGax compounds crystallizing in the tetragonal CaBe2Ge2 -type structure (space group P 4 /n m m ) and undergoing a structural phase transition to an orthorhombic structure (C m m e ) at low temperatures were studied by means of neutron scattering. The amplitude-modulated magnetic structure of CePd2Al2 is described by an incommensurate propagation vector k ⃗=(δx,1/2 +δy,0 ) with δx=0.06 and δy=0.04 . The magnetic moments order antiferromagnetically within the a b planes stacked along the c axis and are arranged along the direction close to the orthorhombic a axis with a maximum value of 1.5(1) μB/Ce3 +. CePd2Ga2 reveals a magnetic structure composed of two components: the first is described by the propagation vector k1⃗=(1/2 ,1/2 ,0 ) , and the second one propagates with k2⃗=(0 ,1/2 ,0 ) . The magnetic moments of both components are aligned along the same direction—the orthorhombic [100] direction—and their total amplitude varies depending on the mutual phase of magnetic moment components on each Ce site. The propagation vectors k1⃗ and k2⃗ describe also the magnetic structure of substituted CePd2Al2 -xGax compounds, except the one with x =0.1 .CePd2Al1.9Ga0.1 with magnetic structure described by k ⃗ and k1⃗ stays on the border between pure CePd2Al2 and the rest of the series. Determined magnetic structures are compared with other Ce 112 compounds. Inelastic neutron scattering experiments disclosed three nondispersive magnetic excitations in the paramagnetic state of CePd2Al2 , while only two crystal field (CF) excitations are expected from the splitting of ground state J =5/2 of the Ce3 + ion in a tetragonal/orthorhombic point symmetry. Three magnetic excitations at 1.4, 7.8, and 15.9 meV are observed in the tetragonal phase of CePd2Al2 . A structural phase transition to an orthorhombic structure shifts the first excitation up to 3.7 meV, while the other two excitations remain at almost the same energy. The presence of an additional magnetic peak is discussed and described within the Thalmeier-Fulde CF-phonon coupling (i.e., magnetoelastic coupling) model generalized to the tetragonal point symmetry. The second parent compound CePd2Ga2 does not display any sign of additional magnetic excitation. The expected two CF excitations were observed. The development of magnetic excitations in the CePd2Al2 -xGax series is discussed and crystal field parameters determined.

Crystallization and preliminary X-ray diffraction studies of the ferredoxin reductase component in the Rieske nonhaem iron oxygenase system carbazole 1,9a-dioxygenase

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

Ashikawa, Yuji; Uchimura, Hiromasa; Fujimoto, Zui

2007-06-01

The NAD(P)H:ferredoxin oxidoreductase in carbazole 1,9a-dioxygenase from Janthinobacterium sp. J3 was crystallized and diffraction data were collected to 2.60 Å resolution. Carbazole 1,9a-dioxygenase (CARDO), which consists of an oxygenase component (CARDO-O) and the electron-transport components ferredoxin (CARDO-F) and ferredoxin reductase (CARDO-R), catalyzes dihydroxylation at the C1 and C9a positions of carbazole. CARDO-R was crystallized at 277 K using the hanging-drop vapour-diffusion method with the precipitant PEG 8000. Two crystal types (types I and II) were obtained. The type I crystal diffracted to a maximum resolution of 2.80 Å and belonged to space group P4{sub 2}2{sub 1}2, with unit-cell parameters amore » = b = 158.7, c = 81.4 Å. The type II crystal was obtained in drops from which type I crystals had been removed; it diffracted to 2.60 Å resolution and belonged to the same space group, with unit-cell parameters a = b = 161.8, c = 79.5 Å.« less

A Mathematical Description of the PULSAR Doppler Satellite Tracking Data Editor.

DTIC Science & Technology

1982-09-01

D .2.2 Position Derivatives of the Atmospheric Drag Acceleration:9r (con’t) v ( X r (i 1,2,3) (29) j=1’ k=1 re c. is the Levi - Civita density defined...obliquity of the ecliptic. The ecliptic intersects the celestial equator at two points called the vernal equinox and the autumnal equinox, i.e. the...direction to the earth’s rotation and has a period of approximately 26,000 years. , This conical motion is usually treated as the sum of two components

Investigation of the nanoscale two-component ZnS-ZnO heterostructures by means of HR-TEM and X-ray based analysis

NASA Astrophysics Data System (ADS)

Pankin, I. A.; Polozhentsev, O. E.; Soldatov, M. A.; Bugaev, A. L.; Tsaturyan, A.; Lomachenko, K. A.; Guda, A. A.; Budnyk, A. P.; Lamberti, C.; Soldatov, A. V.

2018-06-01

This article is devoted to the spectroscopic characterization of ZnS-ZnO nanoscale heterostructures synthesized by the microwave-assisted solvothermal method. The synthesized samples were investigated by means of X-ray powder diffraction (XRPD), high energy resolution fluorescence detected X-ray absorption near-edge-structure (HERFD-XANES) spectroscopy, valence-to-core X-ray emission spectroscopy (VtC-XES) and high resolution transmission electron microscopy (HR-TEM) as well as energy dispersive X-ray spectroscopy (EDX). The average crystallite size estimated by the broadening of XRPD peaks increases from 2.7 nm to 3.7 nm in the temperature range from 100 °C to 150 °C. HR-TEM images show that nanoparticles are arranged in aggregates with the 60-200 nm size. Theoretical estimation shows that the systems synthesized at higher temperatures more prone to the agglomeration. The full profile Reitveld analysis of XRPD data reveals the formation of hexagonal zinc sulfide structure, whereas electron diffraction data reveal also the formation of cubic zinc sulfide and claim the polymorphous character of the system. High energy resolution Zn K-edge XANES data unambiguously demonstrate the presence of a certain amount of the zinc oxide which is likely to have an amorphous structure and could not be detected by XRPD. Qualitative analysis of XANES data allows deriving ZnS/ZnO ratio as a function of synthesis temperature. EDX analysis depicts homogeneous distribution of ZnS and amorphous ZnO phases across the conglomerates. A complementary element-selective valence to core X-ray emission spectroscopy evidences formation of two-component system and confirms estimations of ZnS/ZnO fractions obtained by linear combination fit of XANES data.

VLT spectroscopy of XTE J2123-058 during quiescence: the masses of the two components

NASA Astrophysics Data System (ADS)

Casares, J.; Dubus, G.; Shahbaz, T.; Zurita, C.; Charles, P. A.

2002-01-01

We present Very Large Telescope (VLT) low-resolution spectroscopy of the neutron star X-ray transient XTE J2123-058 during its quiescent state. Our data reveal the presence of a K7V companion which contributes 77 per cent to the total flux at λ6300 and orbits the neutron star at K2=287+/-12kms-1. Contrary to other soft X-ray transients (SXTs), the Hα emission is almost exactly in antiphase with the velocity curve of the optical companion. Using the light-centre technique we obtain K1=140+/-27kms-1 and hence q=K1/K2=M2/M1=0.49+/-0.10. This, combined with a previous determination of the inclination angle (i=73°+/-4°) yields M1=1.55+/-0.31Msolar and M2=0.76+/-0.22Msolar. M2 agrees well with the observed spectral type. Doppler tomography of the Hα emission shows a non-symmetric accretion disc distribution mimicking that seen in SW Sex stars. Although we find a large systemic velocity of - 110+/-8kms-1 this value is consistent with the galactic rotation velocity at the position of J2123-058, and hence a halo origin. The formation scenario of J2123-058 is still unresolved.

The Properties and Evolution of the Highly Ionized Gas in MR 2251-178

NASA Astrophysics Data System (ADS)

Kaspi, Shai; Netzer, Hagai; Chelouche, Doron; George, Ian M.; Nandra, Kirpal; Turner, T. J.

2004-08-01

We present the first XMM-Newton observations of the radio-quiet quasar MR 2251-178 obtained in 2000 and 2002. The EPIC pn spectra show a power-law continuum with a slope of Γ=1.6 at high energies absorbed by at least two warm absorbers (WAs) intrinsic to the source. The underlying continuum in the earlier observation shows a ``soft excess'' at low X-ray energies, which can be modeled as an additional power law with Γ=2.9. The spectra also show a weak narrow iron Kα emission line. The high-resolution grating spectrum obtained in 2002 shows emission lines from N VI, O VII, O VIII, Ne IX, and Ne X, as well as absorption lines from the low-ionization ions of O III, O IV, and O V, and other confirmed and suspected weaker absorption lines. The O III-O V lines are consistent with the properties of the emission-line gas observed as extended optical [O III] emission in this source. The signal-to-noise ratio of the 2000 grating data is too low to detect any lines. We suggest a model for the high-resolution spectrum that consists of two or three WA components. The two-component model has a high-ionization WA with a column density of 1021.5-1021.8 cm-2 and a low-ionization absorber with a column density of 1020.3 cm-2. In the three-component model we add a lower ionization component that produces the observed iron M shell absorption lines. We investigate the spectral variations in MR 2251-178 over a period of 8.5 yr using data from ASCA, BeppoSAX, and XMM-Newton. All X-ray observations can be fitted with the above two power laws and the two absorbers. The observed luminosity variations seem to correlate with variations in the soft X-ray continuum. The 8.5 yr history of the source suggests a changing X-ray absorber due to material that enters and disappears from the line of sight on timescales of several months. We also present, for the first time, the entire Far Ultraviolet Spectroscopic Explorer (FUSE) spectrum of MR 2251-178. We detect emission from N III, C III, and O VI and at least four absorption systems in C III, H I, and O VI, one at -580 km s-1 and at least three others that are blended together and form a wide trough covering the velocity range of 0 to -500 km s-1. The general characteristics of the UV and X-ray absorbers are consistent with an origin in the same gas.

Characterisation of the Microstructure of Fe–Al/Cr3C2 Composite Coatings

NASA Astrophysics Data System (ADS)

Liu, Xiaoming; JunhuiDong; Yang, Yuehong; Sun, Changming; Tuo, Ya; Li, Yanwei

2018-03-01

An Fe-Al/Cr3C2 composite coating is investigated to assess its suitability for treating high-temperature components in a power plant. The coating exhibits excellent high- temperature properties including good corrosion, erosion and friction-wear resistance at high temperatures. To deduce the formation of the Fe-Al/Cr3C2 composite coating and to provide an adequate theoretical basis for its extensive application, its structures and microstructures are investigated. Scanning electronic microscopy (SEM)is used along with energy-dispersive X-ray analysis (EDAX) to analyse the surface of the coating. Energy-dispersive spectroscopy (EDS) is used to analyse the cross-section of the coating. Further, X-ray diffraction (XRD) and transmission electron microscopy (TEM) are used to analyse the phases and micro structural features within the coating. The results reveal that the basic phases are two orderly inter metallic compounds (Fe3Al and FeAl) and that the reinforcement includes two oxides (Al2O3 and Cr2O3) as well as substantial quantities of Cr3C2. Al2O3is formed using two mechanisms: oxidation of aluminium in the coating and separation of Al2O3crystals from Fe3Al and FeAl. The grain size of Al2O3 and Cr2O3 in the coatings is nanometric. These two oxides may increase the corrosion-erosion and wear resistances of the coating when they are used as reinforcements.

X-ray energy selected imaging with Medipix II

NASA Astrophysics Data System (ADS)

Ludwig, J.; Zwerger, A.; Benz, K.-W.; Fiederle, M.; Braml, H.; Fauler, A.; Konrath, J.-P.

2004-09-01

Two different X-ray tube accelerating voltages (60 and 70kV) are used for diagnosis of front teeth and molars. Different energy ranges are necessary as function of tooth thickness to obtain similar contrast for imaging. This technique drives the costs for the X-ray tube up and allows for just two optimized settings. Energy range selection for the detection of the penetrating X-rays would overcome these severe setbacks. The single photon counting chip MEDIPIX2 http://www.cern.ch/medipix exhibits exactly this feature.First simulations and measurements have been carried out using a dental X-ray source. As a demonstrator a real tooth has been used with different cavities and filling materials. Simulations showed in general larger improvements as compared to measurements regarding SNR and contrast: A beneficial factor of 4% wrt SNR and 25% for contrast, measurements showed factors of 2.5 and up to 10%, respectively.

Hard X-Ray-emitting Black Hole Fed by Accretion of Low Angular Momentum Matter

NASA Astrophysics Data System (ADS)

Igumenshchev, Igor V.; Illarionov, Andrei F.; Abramowicz, Marek A.

1999-05-01

Observed spectra of active galactic nuclei and luminous X-ray binaries in our Galaxy suggest that both hot (~109 K) and cold (~106 K) plasma components exist close to the central accreting black hole. The hard X-ray component of the spectra is usually explained by Compton upscattering of optical/UV photons from optically thick cold plasma by hot electrons. Observations also indicate that some of these objects are quite efficient in converting gravitational energy of accretion matter into radiation. Existing theoretical models have difficulties in explaining the two plasma components and high intensity of hard X-rays. Most of the models assume that the hot component emerges from the cold one because of some kind of instability, but no one offers a satisfactory physical explanation for this. Here we propose a solution to these difficulties that reverses what was imagined previously: in our model, the hot component forms first and afterward it cools down to form the cold component. In our model, the accretion flow initially has a small angular momentum, and thus it has a quasi-spherical geometry at large radii. Close to the black hole, the accreting matter is heated up in shocks that form because of the action of the centrifugal force. The hot postshock matter is very efficiently cooled down by Comptonization of low-energy photons and condensates into a thin and cool accretion disk. The thin disk emits the low-energy photons which cool the hot component. All the properties of our model, in particular the existence of hot and cold components, follow from an exact numerical solution of standard hydrodynamical equations--we postulate no unknown processes operating in the flow. In contrast to the recently discussed advection-dominated accretion flow, the particular type of accretion flow considered in this Letter is both very hot and quite radiatively efficient.

A Note on Monotonicity Assumptions for Exact Unconditional Tests in Binary Matched-pairs Designs

PubMed Central

Li, Xiaochun; Liu, Mengling; Goldberg, Judith D.

2011-01-01

Summary Exact unconditional tests have been widely applied to test the difference between two probabilities for 2×2 matched-pairs binary data with small sample size. In this context, Lloyd (2008, Biometrics 64, 716–723) proposed an E + M p-value, that showed better performance than the existing M p-value and C p-value. However, the analytical calculation of the E + M p-value requires that the Barnard convexity condition be satisfied; this can be challenging to prove theoretically. In this paper, by a simple reformulation, we show that a weaker condition, conditional monotonicity, is sufficient to calculate all three p-values (M, C and E + M) and their corresponding exact sizes. Moreover, this conditional monotonicity condition is applicable to non-inferiority tests. PMID:21466507

A SAXS-WAXS study of the endothermic transitions in amorphous or supercooled liquid itraconazole

DOE PAGES

Benmore, C. J.; Mou, Q.; Benmore, K. J.; ...

2016-10-07

Small and wide angle high energy x-ray scattering experiments were performed upon cooling itraconazole from the melt to investigate the structural origin of the two transitions at ~74 °C and ~90 °C observed in DSC measurements. Slight changes to the main WAXS peak at Q = 1.33 ± 0.01 Å –1 were observed at 90 °C and are found to be inter-molecular in nature, suggesting a liquid to isotropic transition. This finding was supported by complementary wide angle neutron scattering measurements. For temperatures at and below ~74 °C two strong rings appear in the 2D-SAXS pattern at Q = 0.24more » ± 0.01 Å –1 and 0.43 ± 0.01 Å –1. The SAXS spectra were further deconvoluted into sharp and broad components. Lastly, a narrowing of the broad component is associated with only minor changes in the packing arrangements of the itraconazole molecules below ~90 °C, while the appearance of the sharp component below ~74 °C is attributed to the formation of a polydomain lamellar phase.« less

Two-Dimensional, Ordered, Double Transition Metals Carbides (MXenes)

DOE PAGES

Anasori, Babak; Xie, Yu; Beidaghi, Majid; ...

2015-07-24

The higher the chemical diversity and structural complexity of two-dimensional (2D) materials, the higher the likelihood they possess unique and useful properties. In this paper, density functional theory (DFT) is used to predict the existence of two new families of 2D ordered, carbides (MXenes), M' 2M"C 2 and M' 2M" 2C 3, where M' and M" are two different early transition metals. In these solids, M' layers sandwich M" carbide layers. By synthesizing Mo 2TiC 2T x, Mo 2Ti 2C 3T x, and Cr 2TiC 2T x (where T is a surface termination), we validated the DFT predictions. Since themore » Mo and Cr atoms are on the outside, they control the 2D flakes’ chemical and electrochemical properties. The latter was proven by showing quite different electrochemical behavior of Mo 2TiC 2T x and Ti 3C 2T x. Finally, this work further expands the family of 2D materials, offering additional choices of structures, chemistries, and ultimately useful properties.« less

Analysis and Comparison of Extended and Unscented Kalman Filtering Methods for Spacecraft Attitude Determination

DTIC Science & Technology

2010-12-01

3)+m*l^2); fncC.m %# eml function y = fncC(x) Bo=0.5; alf=30*pi/180; y=Bo*sin(x(1,1)+alf); 75 Unscented Kalman Filter – Embedded...Matlab Block %# eml function [x_k1,Pxx_k1] = UKF(x_k,Pxx_k,Y_meas,ts,Q,R,kappa) % This block supports the Embedded MATLAB subset. % See the...torque2omegadot.m EML function Wdot = torque2omegadot(T, J, W) % This function takes input of applied torque (T) in component % elements, current angular

Exact exchange potential for slabs: Asymptotic behavior of the Krieger-Li-Iafrate approximation

NASA Astrophysics Data System (ADS)

Engel, Eberhard

2018-02-01

The Krieger-Li-Iafrate (KLI) approximation for the exact exchange (EXX) potential of density functional theory is investigated far outside the surface of slabs. For large z the Slater component of the EXX/KLI potential falls off as -1 /z , where z is the distance to the surface of a slab parallel to the x y plane. The Slater potential thus reproduces the behavior of the exact EXX potential. Here it is demonstrated that the second component of the EXX/KLI potential, often called the orbital-shift term, is also proportional to 1 /z for large z , at least in general. This result is obtained by an analytical evaluation of the Brillouin zone integrals involved, relying on the exponential decay of the states into the vacuum. Several situations need to be distinguished in the Brillouin zone integration, depending on the band structure of the slab. In all standard situations, including such prominent cases as graphene and Si(111) slabs, however, a 1 /z dependence of the orbital-shift potential is obtained to leading order. The complete EXX/KLI potential therefore does not reproduce the asymptotic behavior of the exact EXX potential.

Analysis of the A ∼ - X ∼ bands of the ethynyl radical near 1.48 μ m and re-evaluation of X ∼ state energies

NASA Astrophysics Data System (ADS)

Le, A. T.; Gross, Eisen C.; Hall, Gregory E.; Sears, Trevor J.

2018-07-01

We report the observation and analysis of spectra in part of the near-infrared spectrum of C2H, originating in rotational levels in the ground and lowest two excited bending vibrational levels of the ground X ˜ 2Σ+ state. In the analysis, we have combined present and previously reported high resolution spectroscopic data for the lower levels involved in the transitions to determine significantly improved molecular constants to describe the fine and hyperfine split rotational levels of the radical in the zero point, v2 = 1 and the 2Σ+ component of v2 = 2 . Two of the upper state vibronic levels involved had not been observed previously. The data and analysis indicate the electronic wavefunction character changes with bending vibrational excitation in the ground state and provide avenues for future measurements of reactivity of the radical as a function of vibrational excitation.

Analysis of the $$\\tilde{A}$$ - $$\\tilde{X}$$ bands of the Ethynyl Radical near 1.48 μ-m and Re-evaluation of ~X State Energies

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

Le, A T.; Gross, Eisen C.; Hall, Gregory E.

Here, we report the observation and analysis of spectra in part of the near-infrared spectrum of C 2H, originating in rotational levels in the ground and lowest two excited bending vibrational levels of the groundmore » $$\\tilde{X}$$ 2Σ+ state. In the analysis, we have combined present and previously reported high resolution spectroscopic data for the lower levels involved in the transitions to determine significantly improved molecular constants to describe the fine and hyperfine split rotational levels of the radical in the zero point, v 2 = 1 and the 2Σ+ component of v 2 = 2. Two of the upper state vibronic levels involved had not been observed previously. The data and analysis indicate the electronic wavefunction character changes with bending vibrational excitation in the ground state and provide avenues for future measurements of reactivity of the radical as a function of vibrational excitation.« less

Analysis of the $$\\tilde{A}$$ - $$\\tilde{X}$$ bands of the Ethynyl Radical near 1.48 μ-m and Re-evaluation of ~X State Energies

DOE PAGES

Le, A T.; Gross, Eisen C.; Hall, Gregory E.; ...

2018-05-15

Here, we report the observation and analysis of spectra in part of the near-infrared spectrum of C 2H, originating in rotational levels in the ground and lowest two excited bending vibrational levels of the groundmore » $$\\tilde{X}$$ 2Σ+ state. In the analysis, we have combined present and previously reported high resolution spectroscopic data for the lower levels involved in the transitions to determine significantly improved molecular constants to describe the fine and hyperfine split rotational levels of the radical in the zero point, v 2 = 1 and the 2Σ+ component of v 2 = 2. Two of the upper state vibronic levels involved had not been observed previously. The data and analysis indicate the electronic wavefunction character changes with bending vibrational excitation in the ground state and provide avenues for future measurements of reactivity of the radical as a function of vibrational excitation.« less

Strain induced enhancement of magnetization in Ba{sub 2}FeMoO{sub 6} based heterostructure with (Ba{sub x}Sr{sub 1-x})TiO{sub 3}

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

Kim, Kyeong-Won; Norton, David P.; Ghosh, Siddhartha, E-mail: ghoshsid@gmail.com

2016-05-14

High quality epitaxial Ba{sub 2}FeMoO{sub 6} thin films and Ba{sub 2}FeMoO{sub 6}–(Ba{sub x}Sr{sub 1−x})TiO{sub 3} bi-layer (BL) and superlattice (SL) structures were grown via pulsed laser deposition under low oxygen pressure, and their structural, magnetic, and magneto-transport properties were examined. Superlattice and bi-layer structures were confirmed by X-ray diffraction patterns. Low temperature magnetic measurement shows that the saturation magnetization (M{sub S}) is significantly higher for SLs and almost similar or lower for BLs, when compared to phase pure Ba{sub 2}FeMoO{sub 6} thin films. The variation of the coercive field (H{sub C}) follows exact opposite trend, where BL samples have highermore » H{sub C} and SL samples have lower H{sub C} than pure Ba{sub 2}FeMoO{sub 6} thin films. Also, a significant decrease of the Curie temperature is found in both BL and SL structures compared to pure Ba{sub 2}FeMoO{sub 6} thin films. Negative magneto-resistance is seen in all the BL and SL structures as well as in pure Ba{sub 2}FeMoO{sub 6} thin films. In contrast to the magnetic properties, the magneto-transport properties do not show much variation with induced strain.« less

Black hole perturbations in vector-tensor theories: the odd-mode analysis

NASA Astrophysics Data System (ADS)

Kase, Ryotaro; Minamitsuji, Masato; Tsujikawa, Shinji; Zhang, Ying-li

2018-02-01

In generalized Proca theories with vector-field derivative couplings, a bunch of hairy black hole solutions have been derived on a static and spherically symmetric background. In this paper, we formulate the odd-parity black hole perturbations in generalized Proca theories by expanding the corresponding action up to second order and investigate whether or not black holes with vector hair suffer ghost or Laplacian instabilities. We show that the models with cubic couplings G3(X), where X=‑AμAμ/2 with a vector field Aμ, do not provide any additional stability condition as in General Relativity. On the other hand, the exact charged stealth Schwarzschild solution with a nonvanishing longitudinal vector component A1, which originates from the coupling to the Einstein tensor GμνAμ Aν equivalent to the quartic coupling G4(X) containing a linear function of X, is unstable in the vicinity of the event horizon. The same instability problem also persists for hairy black holes arising from general quartic power-law couplings G4(X) ⊃ β4 Xn with the nonvanishing A1, while the other branch with A1=0 can be consistent with conditions for the absence of ghost and Laplacian instabilities. We also discuss the case of other exact and numerical black hole solutions associated with intrinsic vector-field derivative couplings and show that there exists a wide range of parameter spaces in which the solutions suffer neither ghost nor Laplacian instabilities against odd-parity perturbations.

Analysis of the Central X-ray Source in DG Tau

NASA Astrophysics Data System (ADS)

Schneider, P. Christian; Schmitt, Jürgen H. M. M.

As a stellar X-ray source DG Tau shows two rather unusual features: A resolved X-ray jet [2] and an X-ray spectrum best described by two thermal components with different absorbing column densities, a so called "two-absorber X-ray (TAX)" morphology [1, 2]. In an effort to understand the properties of the central X-ray source in DG Tau a detailed position analysis was carried out.

X-Ray Photoelectron Spectroscopy Study of the Heating Effects on Pd/6H-SiC Schottky Structure

NASA Technical Reports Server (NTRS)

Chen, Liang-Yu; Hunter, Gary W.; Neudeck, Philip G.; Knight, Dak

1998-01-01

X-ray photoelectron spectroscopy is used to study the effects of heat treatment on the Pd/6H-SiC Schottky diode structure. After heating the structure at 425 C for 140 h, a very thin surface layer of PdO mixed with SiO(x) formed on the palladium surface of the Schottky structure. Heat treatment promoted interfacial diffusion and reaction which significantly broadened the interfacial region. In the interfacial region, the palladium concentration decreases with depth, and the interfacial products are Pd(x)Si (x = 1,2,3,4). In the high Pd concentration regions, Pd4Si is the major silicide component while gr and Pd2Si are major components in the low Pd concentration region. At the center of the interface, where the total palladium concentration equals that of silicon, the concentrations of palladium associated with various palladium silicides (Pd(x)Si, x= 1,2,3,4) are approximately equal. The surface passivation layer composed of PdO and SiO, may significantly affect the electronic and catalytic properties of the surface of the Schottky diode which plays a major role in gas detection. The electronic properties of the Schottky structure may be dominated by a (Pd+Pd(x)Si)/SiC interface. In order to stabilize the properties of the Schottky structure the surface and interface diffusion and reactions must be controlled.

Shear induced structures in crystallizing cocoa butter

NASA Astrophysics Data System (ADS)

Mazzanti, Gianfranco; Guthrie, Sarah E.; Sirota, Eric B.; Marangoni, Alejandro G.; Idziak, Stefan H. J.

2004-03-01

Cocoa butter is the main structural component of chocolate and many cosmetics. It crystallizes in several polymorphs, called phases I to VI. We used Synchrotron X-ray diffraction to study the effect of shear on its crystallization. A previously unreported phase (phase X) was found and a crystallization path through phase IV under shear was observed. Samples were crystallized under shear from the melt in temperature controlled Couette cells, at final crystallization temperatures of 17.5^oC, 20^oC and 22.5^oC in Beamline X10A of NSLS. The formation of phase X was observed at low shear rates (90 s-1) and low crystallization temperature (17.5^oC), but was absent at high shear (720 s-1) and high temperature (20^oC). The d-spacing and melting point suggest that this new phase is a mixture rich on two of the three major components of cocoa butter. We also found that, contrary to previous reports, the transition from phase II to phase V can happen through the intermediate phase IV, at high shear rates and temperature.

Amorphous titania/carbon composite electrode materials

DOEpatents

Vaughey, John T.; Jansen, Andrew; Joyce, Christopher D.

2017-05-09

An isolated salt comprising a compound of formula (H.sub.2X)(TiO(Y).sub.2) or a hydrate thereof, wherein X is 1,4-diazabicyclo[2.2.2]octane (DABCO), and Y is oxalate anion (C.sub.2O.sub.4.sup.-2), when heated in an oxygen-containing atmosphere at a temperature in the range of at least about 275.degree. C. to less than about 400.degree. C., decomposes to form an amorphous titania/carbon composite material comprising about 40 to about 50 percent by weight titania and about 50 to about 60 percent by weight of a carbonaceous material coating the titania. Heating the composite material at a temperature of about 400 to 500.degree. C. crystallizes the titania component to anatase. The titania materials of the invention are useful as components of the cathode or anode of a lithium or lithium ion electrochemical cell.

Interactions of ABA signaling core components (SlPYLs, SlPP2Cs, and SlSnRK2s) in tomato (Solanum lycopersicon).

PubMed

Chen, Pei; Sun, Yu-Fei; Kai, Wen-Bin; Liang, Bin; Zhang, Yu-Shu; Zhai, Xia-Wan; Jiang, Li; Du, Yang-Wei; Leng, Ping

2016-10-20

Abscisic acid (ABA) regulates fruit development and ripening via its signaling. However, the exact role of ABA signaling core components in fruit have not yet been clarified. In this study, we investigated the potential interactions of tomato (Solanum lycopersicon) ABA signaling core components using yeast two-hybrid analysis, with or without ABA at different concentrations. The results showed that among 12 PYR/PYL/RCAR ABA receptors (SlPYLs), SlPYL1, SlPYL2, SlPYL4, SlPYL5, SlPYL 7, SlPYL8, SlPYL9, SlPYL10, SlPYL11, and SlPYL13 were ABA-dependent receptors, while SlPYL3 and SlPYL12 were ABA-independent receptors. Among five SlPP2Cs (type 2C protein phosphatases) and seven SlSnRK2s (subfamily 2 of SNF1-related kinases), all SlSnRK2s could interact with SlPP2C2, while SlSnRK2.8 also interacted with SlPP2C3. SlSnRK2.5 could interact with SlABF2/4 (ABA-responsive element binding factors). Expressions of SlPYL1, SlPYL2, SlPYL8, and SlPYL10 were upregulated under exogenous ABA but downregulated under nordihydroguaiaretic acid (NDGA) at the mature green stage of fruit ripening. The expressions of SlPP2C1, SlPP2C2, SlPP2C3, and SlPP2C5 were upregulated in ABA-treated fruit, but downregulated in NDGA-treated fruit at the mature green stage. The expressions of SlSnRK2.4, SlSnRK2.5, SlSnRK2.6, and SlSnRK2.7 were upregulated by ABA, but downregulated by NDGA. However, SlSnRK2.2 was down regulated by ABA. Expression of SlABF2/3/4 was enhanced by ABA but decreased by NDGA. Based on these results, we concluded that the majority of ABA receptor PYLs interact with SlPP2Cs in an ABA-dependent manner. SlPP2C2 and SlPP2C3 can interact with SlSnRK2s. SlSnRK2.5 could interact with SlABF2/4. Most ABA signaling core components respond to exogenous ABA. Copyright © 2016 Elsevier GmbH. All rights reserved.

Comparison between spin-orbit torques measured by domain-wall motions and harmonic measurements

NASA Astrophysics Data System (ADS)

Kim, Joo-Sung; Nam, Yune-Seok; Kim, Dae-Yun; Park, Yong-Keun; Park, Min-Ho; Choe, Sug-Bong

2018-05-01

Here we report the comparison of the spin torque efficiencies measured by three different experimental schemes for Pt/Co/X stacks with material X (= Pt, Ta, Ti, Al, Au, Pd, and Ru. 7 materials). The first two spin torque efficiencies ɛDW (1 ) and ɛDW (2 ) are quantified by the measurement of spin-torque-induced effective field for domain-wall depinning and creeping motions, respectively. The last one—longitudinal spin torque efficiency ɛL—is measured by harmonic signal measurement of the magnetization rotation with uniform magnetization configuration. The results confirm that, for all measured Pt/Co/X stacks, ɛDW (1 ) and ɛDW (2 ) are exactly consistent to each other and these two efficiencies are roughly proportional to ɛL with proportionality constant π/2, which comes from the integration over the domain-wall configuration.

Crystallization and preliminary X-ray diffraction analysis of crotoxin B from Crotalus durissus collilineatus venom

PubMed Central

Salvador, G. H. M.; Fernandes, C. A. H.; Corrêa, L. C.; Santos-Filho, N. A.; Soares, A. M.; Fontes, M. R. M.

2009-01-01

Crotoxin B is a basic phospholipase A2 found in the venom of several Crotalus durissus ssp. rattlesnakes and is one of the subunits that constitute crotoxin, the main component of the venom of these snakes. This heterodimeric toxin is related to important envenomation effects such as neurological disorders, myotoxicity and renal failure. Although crotoxin was first crystallized in 1938, the first structural data only became available in 2007 (for crotoxin B from C. durissus terrificus) and showed an ambiguous result for the biological assembly, which could be either dimeric or tetrameric. In this work, the crystallization, X-ray diffraction data collection at 2.2 Å resolution and molecular-replacement solution of a dimeric complex formed by two crotoxin B isoforms from C. durissus collilineatus venom is presented. PMID:19851009

Jet-ISM Interaction in the Radio Galaxy 3C 293: Jet-driven Shocks Heat ISM to Power X-Ray and Molecular H2 Emission

NASA Astrophysics Data System (ADS)

Lanz, L.; Ogle, P. M.; Evans, D.; Appleton, P. N.; Guillard, P.; Emonts, B.

2015-03-01

We present a 70 ks Chandra observation of the radio galaxy 3C 293. This galaxy belongs to the class of molecular hydrogen emission galaxies (MOHEGs) that have very luminous emission from warm molecular hydrogen. In radio galaxies, the molecular gas appears to be heated by jet-driven shocks, but exactly how this mechanism works is still poorly understood. With Chandra, we observe X-ray emission from the jets within the host galaxy and along the 100 kpc radio jets. We model the X-ray spectra of the nucleus, the inner jets, and the X-ray features along the extended radio jets. Both the nucleus and the inner jets show evidence of 107 K shock-heated gas. The kinetic power of the jets is more than sufficient to heat the X-ray emitting gas within the host galaxy. The thermal X-ray and warm H2 luminosities of 3C 293 are similar, indicating similar masses of X-ray hot gas and warm molecular gas. This is consistent with a picture where both derive from a multiphase, shocked interstellar medium (ISM). We find that radio-loud MOHEGs that are not brightest cluster galaxies (BCGs), like 3C 293, typically have LH2/LX˜ 1 and MH2/MX˜ 1, whereas MOHEGs that are BCGs have LH2/LX˜ 0.01 and MH2/MX˜ 0.01. The more massive, virialized, hot atmosphere in BCGs overwhelms any direct X-ray emission from current jet-ISM interaction. On the other hand, LH2/LX˜ 1 in the Spiderweb BCG at z = 2, which resides in an unvirialized protocluster and hosts a powerful radio source. Over time, jet-ISM interaction may contribute to the establishment of a hot atmosphere in BCGs and other massive elliptical galaxies.

Quantitative analysis of tridymite and cristobalite crystallized in rice husk ash by heating.

PubMed

Shinohara, Yasushi; Kohyama, Norihiko

2004-04-01

The quantities of two forms of crystalline silica, tridymite and cristobalite, in heated rice husk ash (RHA) samples were determined by X-ray diffraction (XRD) and chemical methods. Two RHA samples, containing 93% SiO2 and 2-3% K2O, were prepared from charcoaled rice husk products and heated to above 900 degrees C. The crystalline silica made up over 60-80% of the total silica in the heated RHA samples based on the XRD analysis. The crystalline phases in the two samples were somewhat different: The sample heated in the temperature range of 900 to 1,200 degrees C contained 52-62% cristobalite and 10-17% tridymite, but the other sample heated at a comparable temperature, above 1,100 degrees C, contained 46-66% tridymite and 37-16% cristobalite. Based on a correlation of lower tridymite crystallization temperature with higher potassium content, it was concluded that higher potassium levels were responsible for this difference. The pyrophosphoric acid analysis did not give exact results in the evaluation of total crystalline silica content in these RHA samples. As the combustion of rice husk was considered to cover the demands for energy and silica resource in Asian countries, cristobalite and tridymite crystallized in RHA by burning of rice husk should be assessed precisely by XRD analysis and the airborne dust in relevant workplace be controlled.

The high-energy view of the broad-line radio galaxy 3C 111

NASA Astrophysics Data System (ADS)

Ballo, L.; Braito, V.; Reeves, J. N.; Sambruna, R. M.; Tombesi, F.

2011-12-01

We present the analysis of Suzaku and XMM-Newton observations of the broad-line radio galaxy (BLRG) 3C 111. Its high-energy emission shows variability, a harder continuum with respect to the radio-quiet active galactic nucleus population, and weak reflection features. Suzaku found the source in a minimum flux level; a comparison with the XMM-Newton data implies an increase of a factor of 2.5 in the 0.5-10 keV flux, in the 6 months separating the two observations. The iron K complex is detected in both data sets, with rather low equivalent width(s). The intensity of the iron K complex does not respond to the change in continuum flux. An ultrafast, high-ionization outflowing gas is clearly detected in the Suzaku/X-ray Imaging Spectrometer data; the absorber is most likely unstable. Indeed, during the XMM-Newton observation, which was 6 months after, the absorber was not detected. No clear rollover in the hard X-ray emission is detected, probably due to the emergence of the jet as a dominant component in the hard X-ray band, as suggested by the detection above ˜100 keV with the GSO onboard Suzaku, although the present data do not allow us to firmly constrain the relative contribution of the different components. The fluxes observed by the γ-ray satellites CGRO and Fermi would be compatible with the putative jet component if peaking at energies E˜ 100 MeV. In the X-ray band, the jet contribution to the continuum starts to be significant only above 10 keV. If the detection of the jet component in 3C 111 is confirmed, then its relative importance in the X-ray energy band could explain the different observed properties in the high-energy emission of BLRGs, which are otherwise similar in their other multiwavelength properties. Comparison between X-ray and γ-ray data taken at different epochs suggests that the strong variability observed for 3C 111 is probably driven by a change in the primary continuum.

Approximate spin projection of three-component UHF wavefunctions - The states of the pentachlorocyclopentadienyl cation and the croconate dianion, C5O5/2-/

NASA Technical Reports Server (NTRS)

Phillips, D. H.; Schug, J. C.

1974-01-01

The approximate spin projection method of Amos et al. is extended to handle UHF wave functions having three significant components of differing multiplicity. An expression is given for the energy after single annihilation which differs from that of Amos and Hall. The new expression reproduces the results obtained from a previous exact calculation for which the weights and energies of the components are known. The extended approximate projection method is applied to the pi-electron UHF wave functions for the ground states of the pentachlorocyclopentadienyl cation and the croconate dianion, C5O5(2-). The results indicate a triplet ground state for the former and a singlet ground state for the latter, in agreement with experimental ESR susceptibility measurements for these molecular ions. C5C15(-) cannont be treated by restricted Hartree-Fock theory, due to its open-shell ground state. Incorrect results are obtained for the croconate dianion, if restricted Hartree-Fock theory and singly excited configuration interactions are utilized.

An extraordinarily stable catalyst: Pt NPs supported on two-dimensional Ti3C2X2 (X = OH, F) nanosheets for oxygen reduction reaction.

PubMed

Xie, Xiaohong; Chen, Siguo; Ding, Wei; Nie, Yao; Wei, Zidong

2013-10-03

High dispersion Pt nanoparticles supported on 2D Ti3C2X2 (X = OH, F) nanosheets are presented and electro-chemical measurements confirm that the Pt/Ti3C2X2 catalyst shows enhanced durability and improved ORR activity compared with the commercial Pt/C catalyst.

On an inductive approach to the standard conjecture for a fibred complex variety with strong semistable degeneracies

NASA Astrophysics Data System (ADS)

Tankeev, S. G.

2017-12-01

We prove that Grothendieck's standard conjecture B(X) of Lefschetz type on the algebraicity of the operators \\ast and Λ of Hodge theory holds for a 4-dimensional smooth projective complex variety fibred over a smooth projective curve C provided that every degenerate fibre is a union of smooth irreducible components of multiplicity 1 with normal crossings, the standard conjecture B(X\\overlineη) holds for a generic geometric fibre X\\overlineη, there is at least one degenerate fibre X_δ and the rational cohomology rings H^\\ast(V_i,{Q}) and H^\\ast(V_i\\cap V_j,{Q}) of the irreducible components V_i of every degenerate fibre X_δ=V_1+ \\dots+ V_m are generated by classes of algebraic cycles. We obtain similar results for 3-dimensional fibred varieties with algebraic invariant cycles (defined by the smooth part π'\\colon X'\\to C' of the structure morphism π\\colon X\\to C) or with a degenerate fibre all of whose irreducible components E_i possess the property H^2(E_i,{Q})= \\operatorname{NS}(E_i)\\otimes{Z}{Q}.

A Comprehensive Two-Dimensional Retention Time Alignment Algorithm To Enhance Chemometric Analysis of Comprehensive Two-Dimensional Separation Data

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

Pierce, Karisa M.; Wood, Lianna F.; Wright, Bob W.

2005-12-01

A comprehensive two-dimensional (2D) retention time alignment algorithm was developed using a novel indexing scheme. The algorithm is termed comprehensive because it functions to correct the entire chromatogram in both dimensions and it preserves the separation information in both dimensions. Although the algorithm is demonstrated by correcting comprehensive two-dimensional gas chromatography (GC x GC) data, the algorithm is designed to correct shifting in all forms of 2D separations, such as LC x LC, LC x CE, CE x CE, and LC x GC. This 2D alignment algorithm was applied to three different data sets composed of replicate GC x GCmore » separations of (1) three 22-component control mixtures, (2) three gasoline samples, and (3) three diesel samples. The three data sets were collected using slightly different temperature or pressure programs to engender significant retention time shifting in the raw data and then demonstrate subsequent corrections of that shifting upon comprehensive 2D alignment of the data sets. Thirty 12-min GC x GC separations from three 22-component control mixtures were used to evaluate the 2D alignment performance (10 runs/mixture). The average standard deviation of the first column retention time improved 5-fold from 0.020 min (before alignment) to 0.004 min (after alignment). Concurrently, the average standard deviation of second column retention time improved 4-fold from 3.5 ms (before alignment) to 0.8 ms (after alignment). Alignment of the 30 control mixture chromatograms took 20 min. The quantitative integrity of the GC x GC data following 2D alignment was also investigated. The mean integrated signal was determined for all components in the three 22-component mixtures for all 30 replicates. The average percent difference in the integrated signal for each component before and after alignment was 2.6%. Singular value decomposition (SVD) was applied to the 22-component control mixture data before and after alignment to show the restoration of trilinearity to the data, since trilinearity benefits chemometric analysis. By applying comprehensive 2D retention time alignment to all three data sets (control mixtures, gasoline samples, and diesel samples), classification by principal component analysis (PCA) substantially improved, resulting in 100% accurate scores clustering.« less

A System Level Mass and Energy Calculation for a Temperature Swing Adsorption Pump used for In-Situ Resource Utilization (ISRU) on Mars

NASA Technical Reports Server (NTRS)

Hasseeb, Hashmatullah; Iannetti, Anthony

2017-01-01

A major component of a Martian In-Situ Resource Utilization (ISRU) system is the CO2 acquisition subsystem. This subsystem must be able to extract and separate CO2 at ambient Martian pressures and then output the gas at high pressures for the chemical reactors to generate fuel and oxygen. The Temperature Swing Adsorption (TSA) Pump is a competitive design that can perform this task using heating and cooling cycles in an enclosed volume. The design of this system is explored and analyzed for an output pressure range of 50 kPa to 500 kPa and an adsorption temperature range of -50 C to 40 C while meeting notional requirements for two mission scenarios. Mass and energy consumption results are presented for 2-stage, 3-stage, and 4-stage systems using the following adsorbents: Grace 544 13X, BASF 13X, Grace 522 5A and VSA 10 LiX.

Short-Term Variability and Power Spectral Density Analysis of the Radio-Loud Active Galactic Nucleus 3C 390.3

NASA Astrophysics Data System (ADS)

Gliozzi, Mario; Papadakis, Iossif E.; Eracleous, Michael; Sambruna, Rita M.; Ballantyne, David R.; Braito, Valentina; Reeves, James N.

2009-09-01

We investigate the short-term variability properties and the power spectral density (PSD) of the broad-line radio galaxy (BLRG) 3C 390.3 using observations made by XMM-Newton, RXTE, and Suzaku on several occasions between 2004 October and 2006 December. The main aim of this work is to derive model-independent constraints on the origin of the X-ray emission and on the nature of the central engine in 3C 390.3. On timescales of the order of few hours, probed by uninterrupted XMM-Newton light curves, the flux of 3C 390.3 is consistent with being constant in all energy bands. On longer timescales, probed by the 2-day RXTE and Suzaku observations, the flux variability becomes significant. The latter observation confirms that the spectral variability behavior of 3C 390.3 is consistent with the spectral evolution observed in (radio-quiet) Seyfert galaxies: the spectrum softens as the source brightens. The correlated variability between soft and hard X-rays, observed during the Suzaku exposure and between the two XMM-Newton pointings, taken 1 week apart, argues against scenarios characterized by the presence of two distinct variable components in the 0.5-10 keV X-ray band. A detailed PSD analysis carried out over five decades in frequency suggests the presence of a break at T br = 43+34 -25 days at a 92% confidence level. This is the second tentative detection of a PSD break in a radio-loud, non-jet dominated active galactic nucleus (AGN), after the BLRG 3C 120, and appears to be in general agreement with the relation between T br, M BH, and L bol, followed by Seyfert galaxies. Our results indicate that the X-ray variability properties of 3C 390.3 are broadly consistent with those of radio-quiet AGN, suggesting that the X-ray emission mechanism in 3C 390.3 is similar to that of nearby Seyfert galaxies without any significant contribution from a jet component.

Palaeointensity determinations on rocks from the Achaean- Paleoproterozoic dykes from the Karelian craton

NASA Astrophysics Data System (ADS)

Shcherbakov, Valera; Shcherbakova, Valentina; Lubnina, Natalia; Zhidkov, Grigory; Tsel'movich, Vladimir

2017-04-01

The Karelian craton was a fragment of either an earlier late Archean supercontinent, sometimes referred to as Kenorland. Now the craton is a large Archean composite granite-greenstone terrane in the eastern part of the Fennoscandian Shield bounded by Paleoproterozoic Svecofennian orogen in the south-west and by Lapland-Kola orogen in the north-east and Belomorian province in the east-north-east. Mafic dykes, volcanic rocks, sills, and layered intrusions with ages of ca. 2.51-2.45 Ga and ca. 2.06-1.95 Ga are widespread and well-studied in the Karelian Craton. Paleointensity (Banc) results obtained on the Shala dike (age of 2504 Ma by U-Pb, ID TIMS) tracked near vl. Shala and on the Deda island are discussed here. Eighteen block samples of gabbronotires were collected in two sites in the Shala quarry. Stepwise thermal demagnetization (≤ 20 steps, up to 600 C) and stepwise AF demagnetization were done. To monitor possible mineralogical changes during thermal cleaning, magnetic susceptibility was measured after each heating step. Intensive rock magnetic investigations and thermal palaeointensity experiments using the Thellier-Coe (with check-points) and Wilson procedures were carried out. Electronic microscopy study of two samples was made too. For the exception of a viscous component some specimens from the contact zone of the gabbronorite dyke with thin dolerite dyke show two distinct components. The first E-NE intermediate-down direction component was separated at fields up to 50-60 mT and unblocking temperatures up to 520-540 C. The other S-SE low-down direction component is separated at fields from 60 to 100 mT and unblocking temperatures from 540 to 590-600 C. Based on the positive contact tests for the gabbronorite dyke, the S-SE shallow inclination remanence (I = -5.7 degrees) is interpreted to be of primary origin. Reliable palaeointensity determinations Banc fitting a set of selection criteria were determined on 13 samples from 2 sites carrying well-identified S-SE high-temperature components. Mean values of Banc = 49 µT and 48 µT by the Thellier-Coe and Wilson procedures, correspondingly with mean VDM = 12.6x10^22 Am2 what considerably exceeds modern VDM = 7.8x10^22 Am^2). Our finding is in line with the previously reported high VDM  8.4x10^22 Am2 determined on the same Karelian craton for the Burakovka intrusion from mafic dikes of very close age 2450 Ma (Tarduno et al., 2003) thus supporting the idea of high Paleoproterozoic/NeoAchaean geomagnetic field intensity suggested by Tarduno et al. (2006) and Biggin et al. (2009).

THE BORN-AGAIN PLANETARY NEBULA A78: AN X-RAY TWIN OF A30

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

Toalá, J. A.; Guerrero, M. A.; Marquez-Lugo, R. A.

We present the XMM-Newton discovery of X-ray emission from the planetary nebula (PN) A78, the second born-again PN detected in X-rays apart from A30. These two PNe share similar spectral and morphological characteristics: they harbor diffuse soft X-ray emission associated with the interaction between the H-poor ejecta and the current fast stellar wind and a point-like source at the position of the central star (CSPN). We present the spectral analysis of the CSPN, using for the first time an NLTE code for expanding atmospheres that takes line blanketing into account for the UV and optical spectra. The wind abundances aremore » used for the X-ray spectral analysis of the CSPN and the diffuse emission. The X-ray emission from the CSPN in A78 can be modeled by a single C VI emission line, while the X-ray emission from its diffuse component is better described by an optically thin plasma emission model with a temperature of kT = 0.088 keV (T ≈ 1.0 × 10{sup 6} K). We estimate X-ray luminosities in the 0.2-2.0 keV energy band of L {sub X,} {sub CSPN} = (1.2 ± 0.3) × 10{sup 31} erg s{sup –1} and L {sub X,} {sub DIFF} = (9.2 ± 2.3) × 10{sup 30} erg s{sup –1} for the CSPN and diffuse components, respectively.« less

Approximate Theoretical Model for the Five Electronic States (Ω = 5/2, 3/2, 3/2, 1/2, 1/2) Arising from the Ground 3d9 Configuration in Nickel Halide Molecules and for Rotational Levels of the Two Ω = 1/2 States in that Manifold

NASA Astrophysics Data System (ADS)

Cheung, Allan S.-C.

2011-06-01

An effective Hamiltonian for a non-rotating diatomic molecule containing only crystal-field and spin-orbit operators has been set up to describe the energies of the five spin-orbit components that arise in the ground electronic configuration of the nickel monohalides. The model assumes that bonding in the nickel halides has the approximate form Ni+X-, with an electronic 3d9 configuration plus closed shells on the Ni+ moiety and a closed shell configuration on the X&- moiety. Least-squares fits of the observed five spin-orbit components of the three lowest electronic states in NiF and NiCl are then carried out in terms of the three crystal field parameters C0, C2, C4 and the spin-orbit coupling constant A. Following this, the usual effective Hamiltonian B(J-L-S)^2 for a rotating diatomic molecule is used to derive expressions for the unusually large Ω-type doubling parameter p in the two Ω = 1/2 states in the 3d9 manifold. These expressions show (for certain sign conventions) that the sum of the two p values should be -2B, but that their difference can vary between -10B and +10B. The theoretical magnitudes for p are in good agreement with the two observed p values for both NiF and NiCl, but the signs are not. The experimental signs can be brought into agreement with the theoretical signs by a fairly massive change in +/- parity assignments in the NiF and NiCl literature. The last part of the talk will focus on the theoretical and experimental implications of these parity changes.

Two-phase thermodynamic model for efficient and accurate absolute entropy of water from molecular dynamics simulations.

PubMed

Lin, Shiang-Tai; Maiti, Prabal K; Goddard, William A

2010-06-24

Presented here is the two-phase thermodynamic (2PT) model for the calculation of energy and entropy of molecular fluids from the trajectory of molecular dynamics (MD) simulations. In this method, the density of state (DoS) functions (including the normal modes of translation, rotation, and intramolecular vibration motions) are determined from the Fourier transform of the corresponding velocity autocorrelation functions. A fluidicity parameter (f), extracted from the thermodynamic state of the system derived from the same MD, is used to partition the translation and rotation modes into a diffusive, gas-like component (with 3Nf degrees of freedom) and a nondiffusive, solid-like component. The thermodynamic properties, including the absolute value of entropy, are then obtained by applying quantum statistics to the solid component and applying hard sphere/rigid rotor thermodynamics to the gas component. The 2PT method produces exact thermodynamic properties of the system in two limiting states: the nondiffusive solid state (where the fluidicity is zero) and the ideal gas state (where the fluidicity becomes unity). We examine the 2PT entropy for various water models (F3C, SPC, SPC/E, TIP3P, and TIP4P-Ew) at ambient conditions and find good agreement with literature results obtained based on other simulation techniques. We also validate the entropy of water in the liquid and vapor phases along the vapor-liquid equilibrium curve from the triple point to the critical point. We show that this method produces converged liquid phase entropy in tens of picoseconds, making it an efficient means for extracting thermodynamic properties from MD simulations.

Mutational Activation of the AmgRS Two-Component System in Aminoglycoside-Resistant Pseudomonas aeruginosa

PubMed Central

Lau, Calvin Ho-Fung; Fraud, Sebastien; Jones, Marcus; Peterson, Scott N.; Poole, Keith

2013-01-01

The amgRS operon encodes a presumed membrane stress-responsive two-component system linked to intrinsic aminoglycoside resistance in Pseudomonas aeruginosa. Genome sequencing of a lab isolate showing modest pan-aminoglycoside resistance, strain K2979, revealed a number of mutations, including a substitution in amgS that produced an R182C change in the AmgS sensor kinase product of this gene. Introduction of this mutation into an otherwise wild-type strain recapitulated the resistance phenotype, while correcting the mutation in the resistant mutant abrogated the resistant phenotype, confirming that the amgS mutation is responsible for the aminoglycoside resistance of strain K2979. The amgSR182 mutation promoted an AmgR-dependent, 2- to 3-fold increase in expression of the AmgRS target genes htpX and PA5528, mirroring the impact of aminoglycoside exposure of wild-type cells on htpX and PA5528 expression. This suggests that amgSR182 is a gain-of-function mutation that activates AmgS and the AmgRS two-component system in promoting modest resistance to aminoglycosides. Screening of several pan-aminoglycoside-resistant clinical isolates of P. aeruginosa revealed three that showed elevated htpX and PA5528 expression and harbored single amino acid-altering mutations in amgS (V121G or D106N) and no mutations in amgR. Introduction of the amgSV121G mutation into wild-type P. aeruginosa generated a resistance phenotype reminiscent of the amgSR182 mutant and produced a 2- to 3-fold increase in htpX and PA5528 expression, confirming that it, too, is a gain-of-function aminoglycoside resistance-promoting mutation. These results highlight the contribution of amgS mutations and activation of the AmgRS two-component system to acquired aminoglycoside resistance in lab and clinical isolates of P. aeruginosa. PMID:23459488

Retroactive Event Determination and Its Relativistic Roots

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

Nelson, Sky E.

Quantum theory limits what we are allowed to say about the 'true' state of a quantum system if that system is unobserved. But special relativity relies fundamentally on a universal assumption about what a light particle is doing at ALL times, regardless of being observed (namely, traveling at speed c relative to any inertial observer). This constitutes a fundamental conceptual gap between the theories. In resolving this impasse we show that the state of a light particle (and hence space and time) is not objective or continuous. Time dilation and length contraction become infinite for a photon, so light hasmore » no 'experience' of event separation in space or time ({Delta}t' = 0, {Delta}x' = 0). The principle of simultaneity is applied between an inertial observer and a light particle, such that the relative speed of the two systems is c, and gamma = infinite/undefined. Although light experiences no separation between events, the Lorentz transform {Delta}t' = {gamma} ({Delta}t-{Delta}Lv/c{sup 2}) implies that the inertial observer experiences a separation between those same events of exactly {Delta}t = {Delta}L/c, a light-like separation. In other words, although light does not 'register' time or space itself, light will always be measured by an inertial observer at a position and time exactly as if it had travelled at speed c continuously through the intervening medium. This fits nicely within the limitations set by quantum mechanics. This result is connected with previous work on retroactive event determination, suggesting the ubiquitous existence of ''synchronicity''.« less

Blow-up profile to the solutions of two-coupled Schroedinger equations

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

Chen Jianqing; Guo Boling

2009-02-15

The model of the following two-coupled Schroedinger equations, i{sub t}+(1/2){delta}u=(g{sub 11}|u|{sup 2p}+g|u|{sup p-1}|v|{sup p+1})uu, (t,x)(set-membership sign)R{sub +}xR{sup N}, and iv{sub t}+(1/2){delta}v=(g|u|{sup p+1}|v|{sup p-1}+g{sub 22}|v|{sup 2p})v, (t,x)(set-membership sign)R{sub +}xR{sup N}, is proposed in the study of the Bose-Einstein condensates [Mitchell, et al., ''Self-traping of partially spatially incoherent light,'' Phys. Rev. Lett. 77, 490 (1996)]. We prove that for suitable initial data and p the solution blows up exactly like {delta} function. As a by-product, we prove that similar phenomenon occurs for the critical two-coupled Schroedinger equations with harmonic potential [Perez-Garcia, V. M. and Beitia, T. B., ''Sybiotic solitons in heteronuclear multicomponentmore » Bose-Einstein condensates,'' Phys. Rev. A 72, 033620 (2005)], iu{sub t}+(1/2){delta}u=({omega}/2)|x|{sup 2}u+(g{sub 11}|u|{sup 2p}+g|u|{sup p-1}|v|{sup p+1})u, x(set-membership sign)R{sup N}, and iv{sub t}+(1/2){delta}v=({omega}/2)|x|{sup 2}v+(g|u|{sup p+1}|v|{sup p-1}+g{sub 22}|v|{sup 2p})v, x(set-membership sign)R{sup N}.« less

Universal Adiabatic Quantum Computation via the Space-Time Circuit-to-Hamiltonian Construction

NASA Astrophysics Data System (ADS)

Gosset, David; Terhal, Barbara M.; Vershynina, Anna

2015-04-01

We show how to perform universal adiabatic quantum computation using a Hamiltonian which describes a set of particles with local interactions on a two-dimensional grid. A single parameter in the Hamiltonian is adiabatically changed as a function of time to simulate the quantum circuit. We bound the eigenvalue gap above the unique ground state by mapping our model onto the ferromagnetic X X Z chain with kink boundary conditions; the gap of this spin chain was computed exactly by Koma and Nachtergaele using its q -deformed version of SU(2) symmetry. We also discuss a related time-independent Hamiltonian which was shown by Janzing to be capable of universal computation. We observe that in the limit of large system size, the time evolution is equivalent to the exactly solvable quantum walk on Young's lattice.

Structure cristalline, caractérisation spectroscopique, calcul DFT et analyse de surface Hirshfeld du perchlorate de p-toluidinium.

PubMed

Ben Jomaa, Meriam; Chebbi, Hammouda; Fakhar Bourguiba, Noura; Zid, Mohamed Faouzi

2018-02-01

The synthesis of p -toluidinium perchlorate (systematic name: 4-methyl-anilinium perchlorate), C 7 H 10 N + ·ClO 4 - , was carried out from an aqueous reaction of perchloric acid with p -toluidine. This compound was characterized by powder XRD, IR and UV-Vis spectroscopy. The structure was further confirmed by a single-crystal X-ray diffraction study. The crystal structure is formed by a succession of two-dimensional mol-ecular layers consisting of perchlorate anions and organic cations parallel to the (100) plane and located at x = 2 n  + ½ ( n ∈ Z ). Each mixed layer is formed by infinite chains {C 7 H 10 N + ·ClO 4 - } n parallel to the [010] direction and developing along the c axis, generating R 2 4 (8), R 2 2 (4) and R 4 4 (12) graph-set motifs. The results of a theoretical study using the DFT method at the B3LYP/6-311++G(d,p) level are in good agreement with the experimental data. Hirshfeld surface and fingerprint plots reveal that the structure is dominated by O⋯H/H⋯O (54.2%), H⋯H (26.9%) and C-H ⋯π (14.3%) contacts. The studied crystal was refined as a two-component twin.

NUCLEAR X-RAY PROPERTIES OF THE PECULIAR RADIO-LOUD HIDDEN AGN 4C+29.30

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

Sobolewska, M. A.; Siemiginowska, Aneta; Migliori, G.

2012-10-20

We present results from a study of nuclear emission from a nearby radio galaxy, 4C+29.30, over a broad 0.5-200 keV X-ray band. This study used new XMM-Newton ({approx}17 ks) and Chandra ({approx}300 ks) data, and archival Swift/BAT data from the 58 month catalog. The hard (>2 keV) X-ray spectrum of 4C+29.30 can be decomposed into an intrinsic hard power law ({Gamma} {approx} 1.56) modified by a cold absorber with an intrinsic column density N {sub H,z} {approx} 5 Multiplication-Sign 10{sup 23} cm{sup -2}, and its reflection (|{Omega}/2{pi}| {approx} 0.3) from a neutral matter including a narrow iron K{alpha} emission linemore » at a rest-frame energy {approx}6.4 keV. The reflected component is less absorbed than the intrinsic one with an upper limit on the absorbing column of N {sup refl} {sub H,z} < 2.5 Multiplication-Sign 10{sup 22} cm{sup -2}. The X-ray spectrum varied between the XMM-Newton and Chandra observations. We show that a scenario invoking variations of the normalization of the power law is favored over a model with variable intrinsic column density. X-rays in the 0.5-2 keV band are dominated by diffuse emission modeled with a thermal bremsstrahlung component with temperature {approx}0.7 keV, and contain only a marginal contribution from the scattered power-law component. We hypothesize that 4C+29.30 belongs to a class of 'hidden' active galactic nuclei containing a geometrically thick torus. However, unlike the majority of hidden AGNs, 4C+29.30 is radio-loud. Correlations between the scattering fraction and Eddington luminosity ratio, and between black hole mass and stellar velocity dispersion, imply that 4C+29.30 hosts a black hole with {approx}10{sup 8} M {sub Sun} mass.« less

Exact short-time height distribution for the flat Kardar-Parisi-Zhang interface

NASA Astrophysics Data System (ADS)

Smith, Naftali R.; Meerson, Baruch

2018-05-01

We determine the exact short-time distribution -lnPf(" close=")H ,t )">H ,t =Sf(H )/√{t } of the one-point height H =h (x =0 ,t ) of an evolving 1 +1 Kardar-Parisi-Zhang (KPZ) interface for flat initial condition. This is achieved by combining (i) the optimal fluctuation method, (ii) a time-reversal symmetry of the KPZ equation in 1 +1 dimension, and (iii) the recently determined exact short-time height distribution -lnPst(H ) of the latter, one encounters two branches: an analytic and a nonanalytic. The analytic branch is nonphysical beyond a critical value of H where a second-order dynamical phase transition occurs. Here we show that, remarkably, it is the analytic branch of Sst(H ) which determines the large-deviation function Sf(H ) of the flat interface via a simple mapping Sf(H )=2-3 /2SstApplication of modern tensor calculus to engineered domain structures. 1. Calculation of tensorial covariants.

PubMed

Kopský, Vojtech

2006-03-01

This article is a roadmap to a systematic calculation and tabulation of tensorial covariants for the point groups of material physics. The following are the essential steps in the described approach to tensor calculus. (i) An exact specification of the considered point groups by their embellished Hermann-Mauguin and Schoenflies symbols. (ii) Introduction of oriented Laue classes of magnetic point groups. (iii) An exact specification of matrix ireps (irreducible representations). (iv) Introduction of so-called typical (standard) bases and variables -- typical invariants, relative invariants or components of the typical covariants. (v) Introduction of Clebsch-Gordan products of the typical variables. (vi) Calculation of tensorial covariants of ascending ranks with consecutive use of tables of Clebsch-Gordan products. (vii) Opechowski's magic relations between tensorial decompositions. These steps are illustrated for groups of the tetragonal oriented Laue class D(4z) -- 4(z)2(x)2(xy) of magnetic point groups and for tensors up to fourth rank.

Thermodynamics of Ising spins on the triangular kagome lattice: Exact analytical method and Monte Carlo simulations

NASA Astrophysics Data System (ADS)

Loh, Y. L.; Yao, D. X.; Carlson, E. W.

2008-04-01

A new class of two-dimensional magnetic materials Cu9X2(cpa)6ṡxH2O ( cpa=2 -carboxypentonic acid; X=F,Cl,Br ) was recently fabricated in which Cu sites form a triangular kagome lattice (TKL). As the simplest model of geometric frustration in such a system, we study the thermodynamics of Ising spins on the TKL using exact analytic method as well as Monte Carlo simulations. We present the free energy, internal energy, specific heat, entropy, sublattice magnetizations, and susceptibility. We describe the rich phase diagram of the model as a function of coupling constants, temperature, and applied magnetic field. For frustrated interactions in the absence of applied field, the ground state is a spin liquid phase with residual entropy per spin s0/kB=(1)/(9)ln72≈0.4752… . In weak applied field, the system maps to the dimer model on a honeycomb lattice, with residual entropy 0.0359 per spin and quasi-long-range order with power-law spin-spin correlations that should be detectable by neutron scattering. The power-law correlations become exponential at finite temperatures, but the correlation length may still be long.

Omega Dante soft x-ray power diagnostic component calibration at the National Synchrotron Light Source

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

Campbell, K.M.; Weber, F.A.; Dewald, E.L.

2004-10-01

The Dante soft x-ray spectrometer, installed on the Omega laser facility at the Laboratory for Laser Energetics, University of Rochester, is a 12-channel filter-edge defined soft x-ray power diagnostic. It is used to measure the spectrally resolved, absolute flux from direct drive, indirect drive (hohlraums) and other plasma sources. Dante component calibration efforts using two beam lines, U3C (50 eV-1 keV) and X8A (1-6 keV) at the National Synchrotron Light Source have been implemented to improve the accuracy of these measurements. We have calibrated metallic vacuum x-ray diodes, mirrors and filters.

Two-dimensional titanium carbonitrides and their hydroxylated derivatives: Structural, electronic properties and stability of MXenes Ti{sub 3}C{sub 2−x}N{sub x}(OH){sub 2} from DFTB calculations

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

Enyashin, A.N.; Ivanovskii, A.L., E-mail: ivanovskii@ihim.uran.ru

2013-11-15

The structural, electronic properties and stability of the new MXene compounds—two-dimensional pristine carbonitrides Ti{sub 3}C{sub 2−x}N{sub x} and their hydroxylated derivatives Ti{sub 3}C{sub 2−x}N{sub x}(OH){sub 2} are studied by means of DFTB calculations. The genesis of the properties is discussed in the sequence: binary MXenes Ti{sub 3}C{sub 2} (Ti{sub 3}N{sub 2})→hydroxylated forms Ti{sub 3}C{sub 2}(OH){sub 2} (Ti{sub 3}N{sub 2}(OH){sub 2})→pristine MXene Ti{sub 3}C{sub 2−x}N{sub x}→hydroxylated Ti{sub 3}C{sub 2−x}N{sub x}(OH){sub 2}. All examined materials are metallic-like. The most favorable type of OH-covering is presented by the occupation of the hollow sites between three neighboring carbon (nitrogen) atoms. Two-dimensional MXene carbonitrides withmore » random distribution of C and N atoms are found to be thermodynamically more favorable. - Graphical abstract: The side views of the optimized atomic structures of some examined hydroxylated derivatives of MXene Ti{sub 3}CN and their electronic band structures. Display Omitted - Highlights: • Very recently 2D titanium carbonitrides have been synthesized. • Structural, electronic properties and stability for these materials were evaluated. • The hydroxylated derivatives of 2D titanium carbonitrides are examined.« less

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

Anasori, Babak; Xie, Yu; Beidaghi, Majid

The higher the chemical diversity and structural complexity of two-dimensional (2D) materials, the higher the likelihood they possess unique and useful properties. In this paper, density functional theory (DFT) is used to predict the existence of two new families of 2D ordered, carbides (MXenes), M' 2M"C 2 and M' 2M" 2C 3, where M' and M" are two different early transition metals. In these solids, M' layers sandwich M" carbide layers. By synthesizing Mo 2TiC 2T x, Mo 2Ti 2C 3T x, and Cr 2TiC 2T x (where T is a surface termination), we validated the DFT predictions. Since themore » Mo and Cr atoms are on the outside, they control the 2D flakes’ chemical and electrochemical properties. The latter was proven by showing quite different electrochemical behavior of Mo 2TiC 2T x and Ti 3C 2T x. Finally, this work further expands the family of 2D materials, offering additional choices of structures, chemistries, and ultimately useful properties.« less

Positron annihilation studies of Bi 2CaSr 2Cu 2O x and Bi 1.6Pb 0.4Ca 2Sr 2Cu 3O y in the region of the superconducting transition

NASA Astrophysics Data System (ADS)

Pujari, P. K.; Datta, T.; Manohar, S. B.; Prakash, Satya; Sastry, P. V. P. S. S.; Yakhmi, J. V.; Iyer, R. M.

1990-03-01

Doppler broadened annihilation radiation (DBAR) spectral parameters have been reported- for the first time- between 77 K and 300 K, for several Bi-based oxide superconductors, viz. A: single phase (2122) Bi 2CaSr 2Cu 2O x with Tc=85 K (R=0), B: a mixed phase lead doped sample containing both 2122 and 2223 with a nominal composition Bi 1.6Pb 0.4Ca 2Sr 2Cu 3O y, and, C: another 2122+2223 sample with same nominal composition as that of B but synthesised under a different heat-treatment schedule so as to yield a Tc=85 K (R=0). Analyses of these spectra using PAACFIT program yielded two components, of which the intensity of the narrow component, I N, and, the width of the broad component, T B, were seen to be the only temperature dependent parameters. At the onset of superconducting transition both T B and I N were seen to increase to a maximum value and decrease on further cooling. A double peak structure in T B vs temperature profile were observed in sample B and C, similar to one reported by us in Tl-Ca-Ba-Cu-O systems. In addition, presence of a magnetic field (1 KG) yielded no significant change in the DBAR spectral parameters. The results are discussed.

Transient traceability analysis of land carbon storage dynamics: procedures and its application to two forest ecosystems

NASA Astrophysics Data System (ADS)

Jiang, L.; Shi, Z.; Xia, J.; Liang, J.; Lu, X.; Wang, Y.; Luo, Y.

2017-12-01

Uptake of anthropogenically emitted carbon (C) dioxide by terrestrial ecosystem is critical for determining future climate. However, Earth system models project large uncertainties in future C storage. To help identify sources of uncertainties in model predictions, this study develops a transient traceability framework to trace components of C storage dynamics. Transient C storage (X) can be decomposed into two components, C storage capacity (Xc) and C storage potential (Xp). Xc is the maximum C amount that an ecosystem can potentially store and Xp represents the internal capacity of an ecosystem to equilibrate C input and output for a network of pools. Xc is co-determined by net primary production (NPP) and residence time (𝜏N), with the latter being determined by allocation coefficients, transfer coefficients, environmental scalar, and exit rate. Xp is the product of redistribution matrix (𝜏ch) and net ecosystem exchange. We applied this framework to two contrasting ecosystems, Duke Forest and Harvard Forest with an ecosystem model. This framework helps identify the mechanisms underlying the responses of carbon cycling in the two forests to climate change. The temporal trajectories of X are similar between the two ecosystems. Using this framework, we found that two different mechanisms leading to the similar trajectory. This framework has potential to reveal mechanisms behind transient C storage in response to various global change factors. It can also identify sources of uncertainties in predicted transient C storage across models and can therefore be useful for model intercomparison.

Magnetic compensation of gravity forces in (p-) hydrogen near its critical point: Application to weightless conditions

NASA Astrophysics Data System (ADS)

Wunenburger, R.; Chatain, D.; Garrabos, Y.; Beysens, D.

2000-07-01

We report a study concerning the compensation of gravity forces in two-phase (p-) hydrogen. The sample is placed near one end of the vertical z axis of a superconducting coil, where there is a near-uniform magnetic field gradient. A variable effective gravity level g can thus be applied to the two-phase fluid system. The vanishing behavior of the capillary length lC at the critical point is compensated by a decrease in g and lC is kept much smaller than the cell dimension. For g ranging from 1 to 0.25 times Earth's gravity (modulus g0) we compare the actual shape of the meniscus to the expected shape in a homogeneous gravity field. We determine lC in a wide range of reduced temperature τ=(TC-T)/TC=[10-4-0.02] from a fit of the meniscus shape. The data are in agreement with previous measurements further from TC performed in n-H2 under Earth's gravity. The effective gravity is homogeneous within 10-2g0 for a 3 mm diameter and 2 mm thickness sample and is in good agreement with the computed one, validating the use of the apparatus as a variable gravity facility. In the vicinity of the levitation point (where magnetic forces exactly compensate Earth's gravity), the computed axial component of the acceleration is found to be quadratic in z, whereas its radial component is proportional to the distance to the axis, which explains the gas-liquid patterns observed near the critical point.

RXTE Observation of the Tycho Supernova Remnant

NASA Technical Reports Server (NTRS)

The, Lih-Sin

1998-01-01

SN1006 [4] and Cas A [1, 9] supernova remnants have been shown convincingly to have a hard X-ray power-law continuum. This continuum is thought to be the synchrotron radiation from accelerated electrons of approx. 100 TeV at the shock fronts. Our goal of AO2 RXTE observation is to detect the hard X-ray continuum and to determine the nature of the continuum from Tycho SNR. A detection of a power-law continuum from Tycho SNR can strongly argue for SNRs are the source of cosmic rays with the first order Fermi acceleration as the energizing process. We report the results of our AO2 RXTE 1 x 10(exp 5) sec observation of Tycho SNR. We detect two components of the X-ray spectrum from Tycho SNR both at better than 3 omega confidence. The best two component models are: bremsstrahlung (kT=2.67 +/- 0.13 keV) + bremsstrahlung (kT=7.07 +/- 2.21/1.72 keV) or bremsstrahlung (kT=2.36 +/- 0.21/0.57 keV) + power-law (gamma=2.58 +/- 0.12/0.09 ). This result is an improvement compaxed with the previous most sensitive X-ray measurements by Ginga which shows Tycho's observed X-ray continuum requires a two-component model to yield acceptable fits with the hard component parameters being highly uncertain. Our RXTE measurements constrain all parameter within 3o, ranges. However, we cannot yet distinguish between thermal and nonthermal models for the hard component. In the followings, we describe what we accomplished in the period covered by the grant proposal.

Mineral associations and character of isotopically anomalous organic material in the Tagish Lake carbonaceous chondrite

NASA Astrophysics Data System (ADS)

Zega, Thomas J.; Alexander, Conel M. O.'D.; Busemann, Henner; Nittler, Larry R.; Hoppe, Peter; Stroud, Rhonda M.; Young, Andrea F.

2010-10-01

We report a coordinated analytical study of matrix material in the Tagish Lake carbonaceous chondrite in which the same small (⩽20 μm) fragments were measured by secondary ion mass spectrometry (SIMS), transmission electron microscopy (TEM), energy-dispersive X-ray spectroscopy (EDS), electron energy-loss spectroscopy (EELS), and X-ray absorption near-edge spectroscopy (XANES). SIMS analysis reveals H and N isotopic anomalies (hotspots), ranging from hundreds to thousands of nanometers in size, which are present throughout the fragments. Although the differences in spatial resolution of the SIMS techniques we have used introduce some uncertainty into the exact location of the hotspots, in general, the H and N isotopic anomalies are spatially correlated with C enrichments, suggesting an organic carrier. TEM analysis, enabled by site-specific extraction using a focused-ion-beam scanning-electron microscope, shows that the hotspots contain an amorphous component, Fe-Ni sulfides, serpentine, and mixed-cation carbonates. TEM imaging reveals that the amorphous component occurs in solid and porous forms, EDS indicates that it contains abundant C, and EELS and XANES at the C K edge reveal that it is largely aromatic. This amorphous component is probably macromolecular C, likely the carrier of the isotopic anomalies, and similar to the material extracted from bulk samples as insoluble organic matter. However, given the large sizes of some of the hotspots, the disparity in spatial resolution among the various techniques employed in our study, and the phases with which they are associated, we cannot entirely rule out that some of the isotopic anomalies are carried by inorganic material, e.g., sheet silicates. The isotopic composition of the organic matter points to an initially primitive origin, quite possibly within cold interstellar clouds or the outer reaches of the solar protoplanetary disk. The association of organic material with secondary phases, e.g., serpentine and carbonates, suggests that the organic matter was susceptible to parent-body processing, and thus, isotopic dilution.

Exact Solutions for Nonlinear Development of a Kelvin-Helmholtz Instability for the Counterflow of Superfluid and Normal Components of Helium II.

PubMed

Lushnikov, Pavel M; Zubarev, Nikolay M

2018-05-18

Relative motion of the normal and superfluid components of helium II results in the quantum Kelvin-Helmholtz instability (KHI) at their common free surface. We found the integrability and exact growing solutions for the nonlinear stage of the development of that instability. Contrary to the usual KHI of the interface between two classical fluids, the dynamics of a helium II free surface allows reduction to the Laplace growth equation, which has an infinite number of exact solutions, including the generic formation of sharp cusps at the free surface in a finite time.

Exact Solutions for Nonlinear Development of a Kelvin-Helmholtz Instability for the Counterflow of Superfluid and Normal Components of Helium II

NASA Astrophysics Data System (ADS)

Lushnikov, Pavel M.; Zubarev, Nikolay M.

2018-05-01

Relative motion of the normal and superfluid components of helium II results in the quantum Kelvin-Helmholtz instability (KHI) at their common free surface. We found the integrability and exact growing solutions for the nonlinear stage of the development of that instability. Contrary to the usual KHI of the interface between two classical fluids, the dynamics of a helium II free surface allows reduction to the Laplace growth equation, which has an infinite number of exact solutions, including the generic formation of sharp cusps at the free surface in a finite time.

The oxidative stress-inducible cystine/glutamate antiporter, system x (c) (-) : cystine supplier and beyond.

PubMed

Conrad, Marcus; Sato, Hideyo

2012-01-01

The oxidative stress-inducible cystine/glutamate exchange system, system x (c) (-) , transports one molecule of cystine, the oxidized form of cysteine, into cells and thereby releases one molecule of glutamate into the extracellular space. It consists of two protein components, the 4F2 heavy chain, necessary for membrane location of the heterodimer, and the xCT protein, responsible for transport activity. Previously, system x (c) (-) has been regarded to be a mere supplier of cysteine to cells for the synthesis of proteins and the antioxidant glutathione (GSH). In that sense, oxygen, electrophilic agents, and bacterial lipopolysaccharide trigger xCT expression to accommodate with increased oxidative stress by stimulating GSH biosynthesis. However, emerging evidence established that system x (c) (-) may act on its own as a GSH-independent redox system by sustaining a redox cycle over the plasma membrane. Hallmarks of this cycle are cystine uptake, intracellular reduction to cysteine and secretion of the surplus of cysteine into the extracellular space. Consequently, increased levels of extracellular cysteine provide a reducing microenvironment required for proper cell signaling and communication, e.g. as already shown for the mechanism of T cell activation. By contrast, the enhanced release of glutamate in exchange with cystine may trigger neurodegeneration due to glutamate-induced cytotoxic processes. This review aims to provide a comprehensive picture from the early days of system x (c) (-) research up to now.

Successive magnetic transitions of the pseudo-ternary compounds Ho1-xRxRh2Si2 (R=Y, La)

NASA Astrophysics Data System (ADS)

Shigeoka, Toru; Uchima, Kiyoharu; Uwatoko, Yoshiya

2018-05-01

Magnetic measurements on the pseudo-ternary compounds Ho1-xRxRh2Si2 (R = Y or La = Y or La) were performed in order to get information on the origin of "the successive component-separated magnetic transitions" which appear in HoRh2Si2. The lattice parameters a and c remain almost constant during changes to Y composition x, while they increase with increasing La composition x. The c/a ratios are also constant in the Y-system, and they increase with increasing x in the La-system especially for above around x = 0.4. The transition temperatures, TN1 = 29.1 K, Tt = 27.3 K and TN2 =12.1 K at x = 0, decrease with increasing x. The rates of decrease for TN1 and TN2 in the Y-system accord with those in the La system below x = 0.4. The critical compositions for TN1 and TN2 are determined to be xN1 = 0.88 and xN2 = 0.59 in the La-system, respectively, and xN1 = 0.98 and xN2 = 0.75 in the Y-system. In both the systems, "the successive component-separated magnetic transitions" appear for the wide x regions. The magnetic ordered state persists in very dilute Ho-compounds in spite of much weak magnetic interactions. The effective magnetic moments are almost constant for the ordered compounds; μeff = 10.6 ± 0.30 μB/Ho. These behaviors are strange, indicating a strong correlation exists in these systems.

Trinuclear organooxotin assemblies from solvothermal synthesis reaction: Crystal structure, hydrogen bonding and π π stacking interaction

NASA Astrophysics Data System (ADS)

Ma, Chunlin; Sun, Junshan; Zhang, Rufen

2007-05-01

Two new trinuclear mono-organooxotin(IV) complexes with 2,3,4,5-tetrafluorobenzoic acid and sodium perchlorate of the types: [(SnR) 3(OH)(2,3,4,5-F 4C 6HCO 2) 4 · ClO 4] · [O 2CC 6HF 4](R = PhCH 2, 1; o- F-PhCH 2 for 2), have been solvothermally synthesized and structurally characterized by elemental, IR, 1H, 13C and 119Sn NMR and X-ray crystallography diffraction analyses. Complex 2 is also characterized by X-ray crystallography diffraction analyses. In complex 2, four carboxyl groups and a perchlorate bridged three tin atoms in a cyclohexane chair arrangement and form the basic framework. A hydroxyl group comprises the oxygen components of the stannoxane ring system. In these complexes, weak but significant intramolecular hydrogen bonding and π-π stacking interaction are also shown. These contacts lead to aggregation and supramolecular assembly of complexes 1 and 2 into 1D or 2D framework.

Method and apparatus for second-rank tensor generation

NASA Technical Reports Server (NTRS)

Liu, Hua-Kuang (Inventor)

1991-01-01

A method and apparatus are disclosed for generation of second-rank tensors using a photorefractive crystal to perform the outer-product between two vectors via four-wave mixing, thereby taking 2n input data to a control n squared output data points. Two orthogonal amplitude modulated coherent vector beams x and y are expanded and then parallel sides of the photorefractive crystal in exact opposition. A beamsplitter is used to direct a coherent pumping beam onto the crystal at an appropriate angle so as to produce a conjugate beam that is the matrix product of the vector beam that propagates in the exact opposite direction from the pumping beam. The conjugate beam thus separated is the tensor output xy (sup T).

Two structural components in CNGA3 support regulation of cone CNG channels by phosphoinositides.

PubMed

Dai, Gucan; Peng, Changhong; Liu, Chunming; Varnum, Michael D

2013-04-01

Cyclic nucleotide-gated (CNG) channels in retinal photoreceptors play a crucial role in vertebrate phototransduction. The ligand sensitivity of photoreceptor CNG channels is adjusted during adaptation and in response to paracrine signals, but the mechanisms involved in channel regulation are only partly understood. Heteromeric cone CNGA3 (A3) + CNGB3 (B3) channels are inhibited by membrane phosphoinositides (PIP(n)), including phosphatidylinositol 3,4,5-triphosphate (PIP(3)) and phosphatidylinositol 4,5-bisphosphate (PIP(2)), demonstrating a decrease in apparent affinity for cyclic guanosine monophosphate (cGMP). Unlike homomeric A1 or A2 channels, A3-only channels paradoxically did not show a decrease in apparent affinity for cGMP after PIP(n) application. However, PIP(n) induced an ∼2.5-fold increase in cAMP efficacy for A3 channels. The PIP(n)-dependent change in cAMP efficacy was abolished by mutations in the C-terminal region (R643Q/R646Q) or by truncation distal to the cyclic nucleotide-binding domain (613X). In addition, A3-613X unmasked a threefold decrease in apparent cGMP affinity with PIP(n) application to homomeric channels, and this effect was dependent on conserved arginines within the N-terminal region of A3. Together, these results indicate that regulation of A3 subunits by phosphoinositides exhibits two separable components, which depend on structural elements within the N- and C-terminal regions, respectively. Furthermore, both N and C regulatory modules in A3 supported PIP(n) regulation of heteromeric A3+B3 channels. B3 subunits were not sufficient to confer PIP(n) sensitivity to heteromeric channels formed with PIP(n)-insensitive A subunits. Finally, channels formed by mixtures of PIP(n)-insensitive A3 subunits, having complementary mutations in N- and/or C-terminal regions, restored PIP(n) regulation, implying that intersubunit N-C interactions help control the phosphoinositide sensitivity of cone CNG channels.

Two structural components in CNGA3 support regulation of cone CNG channels by phosphoinositides

PubMed Central

Dai, Gucan; Peng, Changhong; Liu, Chunming

2013-01-01

Cyclic nucleotide-gated (CNG) channels in retinal photoreceptors play a crucial role in vertebrate phototransduction. The ligand sensitivity of photoreceptor CNG channels is adjusted during adaptation and in response to paracrine signals, but the mechanisms involved in channel regulation are only partly understood. Heteromeric cone CNGA3 (A3) + CNGB3 (B3) channels are inhibited by membrane phosphoinositides (PIPn), including phosphatidylinositol 3,4,5-triphosphate (PIP3) and phosphatidylinositol 4,5-bisphosphate (PIP2), demonstrating a decrease in apparent affinity for cyclic guanosine monophosphate (cGMP). Unlike homomeric A1 or A2 channels, A3-only channels paradoxically did not show a decrease in apparent affinity for cGMP after PIPn application. However, PIPn induced an ∼2.5-fold increase in cAMP efficacy for A3 channels. The PIPn-dependent change in cAMP efficacy was abolished by mutations in the C-terminal region (R643Q/R646Q) or by truncation distal to the cyclic nucleotide-binding domain (613X). In addition, A3-613X unmasked a threefold decrease in apparent cGMP affinity with PIPn application to homomeric channels, and this effect was dependent on conserved arginines within the N-terminal region of A3. Together, these results indicate that regulation of A3 subunits by phosphoinositides exhibits two separable components, which depend on structural elements within the N- and C-terminal regions, respectively. Furthermore, both N and C regulatory modules in A3 supported PIPn regulation of heteromeric A3+B3 channels. B3 subunits were not sufficient to confer PIPn sensitivity to heteromeric channels formed with PIPn-insensitive A subunits. Finally, channels formed by mixtures of PIPn-insensitive A3 subunits, having complementary mutations in N- and/or C-terminal regions, restored PIPn regulation, implying that intersubunit N–C interactions help control the phosphoinositide sensitivity of cone CNG channels. PMID:23530136

Well-defined N-heterocyclic carbene silver halides of 1-cyclohexyl-3-arylmethylimidazolylidenes: synthesis, structure and catalysis in A3-reaction of aldehydes, amines and alkynes.

PubMed

Li, Yanbo; Chen, Xiaofeng; Song, Yin; Fang, Ling; Zou, Gang

2011-03-07

Structurally well-defined N-heterocyclic carbene silver chlorides and bromides supported by 1-cyclohexyl-3-benzylimidazolylidene (CyBn-NHC) or 1-cyclohexyl-3-naphthalen-2-ylmethylimidazolylidene (CyNaph-NHC) were synthesized by reaction of the corresponding imidazolium halides with silver(I) oxide while cationic bis(CyBn-NHC) silver nitrate was isolated under similar conditions using imidazolium iodide in the presence of sodium nitrate. Single-crystal X-ray diffraction revealed a dimeric structure through a nonpolar weak-hydrogen-bond supported Ag-Ag bond for 1-cyclohexyl-3-benzylimidazolylidene silver halides [(CyBn-NHC)AgX](2) (X = Cl, 1; Br, 2) but a monomeric structure for N-heterocyclic carbene silver halides with the more sterically demanding 1-cyclohexyl-3-naphthalen-2-ylmethylimidazolylidene ligand (CyNaph-NHC)AgX (X = Cl, 4; Br, 5). Cationic biscarbene silver nitrate [(CyBn-NHC)(2)Ag](+)NO(3)(-)3 assumed a cis orientation with respect to the two carbene ligands. The monomeric complexes (CyNaph-NHC)AgX 4 and 5 showed higher catalytic activity than the dimeric [(CyBn-NHC)AgX](2)1 and 2 as well as the cationic biscarbene silver nitrate 3 in the model three component reaction of 3-phenylpropionaldehyde, phenylacetylene and piperidine with chloride 4 performing best and giving product in almost quantitative yield within 2 h at 100 °C. An explanation for the structure-activity relationship in N-heterocyclic carbene silver halide catalyzed three component reaction is given based on a slightly modified mechanism from the one in literature.

Correlations and sum rules in a half-space for a quantum two-dimensional one-component plasma

NASA Astrophysics Data System (ADS)

Jancovici, B.; Šamaj, L.

2007-05-01

This paper is the continuation of a previous one (Šamaj and Jancovici, 2007 J. Stat. Mech. P02002); for a nearly classical quantum fluid in a half-space bounded by a plain plane hard wall (no image forces), we had generalized the Wigner Kirkwood expansion of the equilibrium statistical quantities in powers of Planck's constant \\hbar . As a model system for a more detailed study, we consider the quantum two-dimensional one-component plasma: a system of charged particles of one species, interacting through the logarithmic Coulomb potential in two dimensions, in a uniformly charged background of opposite sign, such that the total charge vanishes. The corresponding classical system is exactly solvable in a variety of geometries, including the present one of a half-plane, when βe2 = 2, where β is the inverse temperature and e is the charge of a particle: all the classical n-body densities are known. In the present paper, we have calculated the expansions of the quantum density profile and truncated two-body density up to order \\hbar ^2 (instead of only to order \\hbar as in the previous paper). These expansions involve the classical n-body densities up to n = 4; thus we obtain exact expressions for these quantum expansions in this special case. For the quantum one-component plasma, two sum rules involving the truncated two-body density (and, for one of them, the density profile) have been derived, a long time ago, by using heuristic macroscopic arguments: one sum rule concerns the asymptotic form along the wall of the truncated two-body density; the other one concerns the dipole moment of the structure factor. In the two-dimensional case at βe2 = 2, we now have explicit expressions up to order \\hbar^2 for these two quantum densities; thus we can microscopically check the sum rules at this order. The checks are positive, reinforcing the idea that the sum rules are correct.

Mayo clinical Text Analysis and Knowledge Extraction System (cTAKES): architecture, component evaluation and applications

PubMed Central

Masanz, James J; Ogren, Philip V; Zheng, Jiaping; Sohn, Sunghwan; Kipper-Schuler, Karin C; Chute, Christopher G

2010-01-01

We aim to build and evaluate an open-source natural language processing system for information extraction from electronic medical record clinical free-text. We describe and evaluate our system, the clinical Text Analysis and Knowledge Extraction System (cTAKES), released open-source at http://www.ohnlp.org. The cTAKES builds on existing open-source technologies—the Unstructured Information Management Architecture framework and OpenNLP natural language processing toolkit. Its components, specifically trained for the clinical domain, create rich linguistic and semantic annotations. Performance of individual components: sentence boundary detector accuracy=0.949; tokenizer accuracy=0.949; part-of-speech tagger accuracy=0.936; shallow parser F-score=0.924; named entity recognizer and system-level evaluation F-score=0.715 for exact and 0.824 for overlapping spans, and accuracy for concept mapping, negation, and status attributes for exact and overlapping spans of 0.957, 0.943, 0.859, and 0.580, 0.939, and 0.839, respectively. Overall performance is discussed against five applications. The cTAKES annotations are the foundation for methods and modules for higher-level semantic processing of clinical free-text. PMID:20819853

Room temperature structural and dielectric studies of Pb(Fe0.585Nb0.25W0.165)O3 solid solution

NASA Astrophysics Data System (ADS)

Nagaraja, T.; Dadami, Sunanda T.; Angadi, Basavaraj

2018-05-01

The perovskite A(B'B''B''')O3 structure Pb(Fe0.585Nb0.25W0.165)O3 (PFNW) multiferroic material was synthesized by single step solid state reaction method. The single phase was achieved at low temperature with optimized synthesis parameters as calcination (700°C/2hr) and sintering (800 °C /3hr). Single phase was confirmed by room temperature (RT) X-ray diffraction (XRD). The scanning electron microscopy (SEM) shows the uniform distribution of grains throughout the surface of PFNW and the energy dispersive X-ray spectroscopy (EDX) confirms the exact elemental composition as that of the experimental. Fourier transform infrared spectroscopy (FTIR) exhibits two absorption bands at 602 cm-1 and 1385 cm-1 corresponds to the bending and stretching vibrations of metal oxides. RT dielectric studies (dielectric constant, tanδ, AC conductivity) exhibits maximum values at lower frequency region and decreases as the frequency increases. Thesingle semicircular arc in RT impedance spectra (Nyquist plot)indicatesthe contribution to the conductivity is from grains only. Hence PFNW is a potential candidate for near room temperature applications.

Goodness-of-fit tests for discrete data: a review and an application to a health impairment scale.

PubMed

Horn, S D

1977-03-01

We review the advantages and disadvantages of several goodness-of-fit tests which may be used with discrete data: the multinomial test, the likelihood ratio test, the X2 test, the two-stage X2 test and the discrete Kolmogorov-Smirnov test. Although the X2 test is the best known and most widely used of these tests, its use with small sample sizes is controversial. If one has data which fall into ordered categories, then the discrete Kolmogorov-Smirnov test is an exact test which uses the information from the ordering and can be used for small sample sizes. We illustrate these points with an example of several analyses of health impairment data.

Strain-induced tetragonal distortions and multiferroic properties in polycrystalline Sr1 -xB axMn O3 (x =0.43 -0.45 ) perovskites

NASA Astrophysics Data System (ADS)

Somaily, H.; Kolesnik, S.; Mais, J.; Brown, D.; Chapagain, K.; Dabrowski, B.; Chmaissem, O.

2018-05-01

We report the structure-property phase diagram of unique single-ion type-1 multiferroic pseudocubic Sr1 -xB axMn O3 perovskites. Employing a specially designed multistep reduction-oxidation synthesis technique, we have synthesized Sr1 -xB axMn O3 compositions in their polycrystalline form with a significantly extended Ba solubility limit that is only rivaled by a very limited number of crystals and thin films grown under nonequilibrium conditions. Understanding the multiferroic interplay with structure in Sr1 -xB axMn O3 is of great importance as it opens the door wide to the development of newer materials from the parent (A A' ) (B B' ) O3 system with enhanced properties. To this end, using a combination of time-of-flight neutron and synchrotron x-ray scattering techniques, we determined the exact structures and quantified the Mn and oxygen polar distortions above and below the ferroelectric Curie temperature TC and the Néel temperature TN. In its ferroelectric state, the system crystalizes in the noncentrosymmetric tetragonal P 4 m m space group, which gives rise to a large electric dipole moment Ps, in the z direction, of 18.4 and 29.5 μ C /c m2 for x =0.43 and 0.45, respectively. The two independently driven ferroelectric and magnetic order parameters are single-handedly accommodated by the Mn sublattice leading to a novel strain-assisted multiferroic behavior in agreement with many theoretical predictions. Our neutron diffraction results demonstrate the large and tunable suppression of the ferroelectric order at the onset of AFM ordering and confirm the coexistence and strong coupling of the two ferroic orders below TN. The refined magnetic moments confirm the strong covalent bonding between Mn and the oxygen anions, which is necessary for stabilizing the ferroelectric phase.

Two-photon widths of the {chi}{sub cJ} states of charmonium

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

Ecklund, K. M.; Love, W.; Savinov, V.

2008-11-01

Using a data sample of 24.5x10{sup 6} {psi}(2S) the reactions {psi}(2S){yields}{gamma}{chi}{sub cJ}, {chi}{sub cJ}{yields}{gamma}{gamma} have been studied for the first time to determine the two-photon widths of the {chi}{sub cJ} states of charmonium in their decay into two photons. The measured quantities are B({psi}(2S){yields}{gamma}{chi}{sub c0})xB({chi}{sub c0}{yields}{gamma}{gamma})=(2.17{+-}0.32{+-}0.10)x10{sup -5} and B({psi}(2S){yields}{gamma}{chi}{sub c2})xB({chi}{sub c2}{yields}{gamma}{gamma})=(2.68{+-}0.28{+-}0.15)x10{sup -5}. Using values for B({psi}(2S){yields}{gamma}{chi}{sub c0,c2}) and {gamma}({chi}{sub c0,c2}) from the literature the two-photon widths are derived to be {gamma}{sub {gamma}}{sub {gamma}}({chi}{sub c0})=(2.36{+-}0.35{+-}0.22) keV, {gamma}{sub {gamma}}{sub {gamma}}({chi}{sub c2})=(0.66{+-}0.07{+-}0.06) keV, and R{identical_to}{gamma}{sub {gamma}}{sub {gamma}}({chi}{sub c2})/{gamma}{sub {gamma}}{sub {gamma}}({chi}{sub c0})=0.278{+-}0.050{+-}0.036. The importance of the measurement of R is emphasized. For the forbiddenmore » transition, {chi}{sub c1}{yields}{gamma}{gamma}, an upper limit of {gamma}{sub {gamma}}{sub {gamma}}({chi}{sub c1})<0.03 keV is established.« less

TWO DISTINCT-ABSORPTION X-RAY COMPONENTS FROM TYPE IIn SUPERNOVAE: EVIDENCE FOR ASPHERICITY IN THE CIRCUMSTELLAR MEDIUM

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

Katsuda, Satoru; Tsuboi, Yohko; Maeda, Keiichi

2016-12-01

We present multi-epoch X-ray spectral observations of three Type IIn supernovae (SNe), SN 2005kd, SN 2006jd, and SN 2010jl, acquired with Chandra , XMM-Newton , Suzaku , and Swift . Previous extensive X-ray studies of SN 2010jl have revealed that X-ray spectra are dominated by thermal emission, which likely arises from a hot plasma heated by a forward shock propagating into a massive circumstellar medium (CSM). Interestingly, an additional soft X-ray component was required to reproduce the spectra at a period of ∼1–2 years after the SN explosion. Although this component is likely associated with the SN, its origin remained an open question. Wemore » find a similar, additional soft X-ray component from the other two SNe IIn as well. Given this finding, we present a new interpretation for the origin of this component; it is thermal emission from a forward shock essentially identical to the hard X-ray component, but directly reaches us from a void of the dense CSM. Namely, the hard and soft components are responsible for the heavily and moderately absorbed components, respectively. The co-existence of the two components with distinct absorptions as well as the delayed emergence of the moderately absorbed X-ray component could be evidence for asphericity of the CSM. We show that the X-ray spectral evolution can be qualitatively explained by considering a torus-like geometry for the dense CSM. Based on our X-ray spectral analyses, we estimate the radius of the torus-like CSM to be on the order of ∼5 × 10{sup 16} cm.« less

Composition of interstellar clouds in the disk and halo. 2: Gamma(sup 2) Velorum

NASA Technical Reports Server (NTRS)

Fitzpatrick, Edward L.; Spitzer, Lyman, Jr.

1994-01-01

High-resolution observations of gamma(sup 2) Vel with the Goddard High-Resolution Spectrograph (GHRS) echelle on the Hubble Space Telescope reveal the presence of seven narrow absorption components, with LSR velocities between -23 and +9 km s(exp -1). Three of these show column density ratios N(S(++))/N(S(+)) and N(P(++))/N(P+)) of about 1 or more, and can be identified as H II regions, while the other four are H I regions, consistent with the O I profile and with the overall H(sup 0) column density of 5.9 x 10(exp 19) cm(exp -2), given the usual assumptions that S is undepleted while O has a depletion D(O) = -0.3 dex. The depletions of Fe, Si, and Mn, which could be measure accurately for two of the four H I regions (components 6 and 7), differ somewhat from the values of D(sub ws) found for slowly moving warm clouds in HD 93521; in particular, for the component at 4.0 km s(exp -1) (No. 6), abosolute of D exceeds absolute of D(sub ws) by 0.1-0.4 dex, while for that at 9.3 km s(exp -1) (No. 7), absolute of D equals absolute of D(sub ws) on the average. The observed ratio of Fe + Mg atoms to Si atoms in the grains of component 6 is 2.04 +/-0.10, consistent with an olivine grain composition; the Fe/Mg ratio is 1.5 +/- 0.2. The electron density in component 6, determined from the C II(sup *) feature, is 0.075 +/- 0.013 cm (exp -3), about two-thirds of that found for clouds of this velocity in HD 93521. In the two conspicuous H II regions, components 3 and 4, n(sub e), determined from the Si II(sup *) feature, is about 1 cm(exp -3). From the column density of S(+) + S(++) in these two components, the total H II path length is about 40 pc. With the radius of a wind-blown bubble around gamma(sup 2) Vel set equal to 60 pc, the effective Stromgren radius is about 100 pc, requiring that T approx. equal to 50,000 K for the Wolf-Rayet component of the gamma(sup 2) Vel binary. Since zeta Pup is a comparable source of ionizing radiation, this temperature is an upper limit. The profiles of the strongest H2 absorption features, from Copernicus archives, indicate that the absorbing molecules have a mean velocity identical with that of the strongest H II component (No. 4). We have no explanation for the possible presence of these H2 molecules in a region of ionized H. Alternatively, the H2 profiles can be explained by molecules in the two adjacent (in velocity) H I regions, components 2 and 5, provided their H I gas has densities and temperatures typical of normal cold clouds. The GHRS data show absorption by highly ionized atoms Si(3+) and C(3+), N(4+) in broad features, in addition to the narrow-line absorption by Si(3+) and C(3+) observed in the dominant H II components, Nos. 3 and 4. The broad C(3+) and N(4+) features have widths corresponding to T in the range (4-8) x 10(exp 5) K, consistent with the broad O(5+) line shown in Copernicus data. Despite some observational uncertainties, the ratios of column densities in the broad C(3+), N(4+), and O(5+) features agree to +/- 0.1 dex with theoretical values for warm gas, heating and evaporating by thermal conduction from an adjacent hot region. Outward evaporation from an isolated cloud in a hot ambient gas cannot be distinguished, on the basis of these data, from inward evaporation of a warm shell, compressed by an expanding, hot stellar-wind bubble. For several halo stars, the C IV/O VI ratio has a quite different average value, perhaps consistent with cooling of infalling hot gas instead of conductive heating and evaporation.

Vacuum Bloch-Siegert shift in Landau polaritons with ultra-high cooperativity

NASA Astrophysics Data System (ADS)

Li, Xinwei; Bamba, Motoaki; Zhang, Qi; Fallahi, Saeed; Gardner, Geoff C.; Gao, Weilu; Lou, Minhan; Yoshioka, Katsumasa; Manfra, Michael J.; Kono, Junichiro

2018-06-01

A two-level system resonantly interacting with an a.c. magnetic or electric field constitutes the physical basis of diverse phenomena and technologies. However, Schrödinger's equation for this seemingly simple system can be solved exactly only under the rotating-wave approximation, which neglects the counter-rotating field component. When the a.c. field is sufficiently strong, this approximation fails, leading to a resonance-frequency shift known as the Bloch-Siegert shift. Here, we report the vacuum Bloch-Siegert shift, which is induced by the ultra-strong coupling of matter with the counter-rotating component of the vacuum fluctuation field in a cavity. Specifically, an ultra-high-mobility two-dimensional electron gas inside a high-Q terahertz cavity in a quantizing magnetic field revealed ultra-narrow Landau polaritons, which exhibited a vacuum Bloch-Siegert shift up to 40 GHz. This shift, clearly distinguishable from the photon-field self-interaction effect, represents a unique manifestation of a strong-field phenomenon without a strong field.

X-ray and optical observations of 2 new cataclysmic variables

NASA Technical Reports Server (NTRS)

Singh, K. P.; Szkody, P.; Barrett, P.; Schlegel, E.; White, N. E.; Silber, A.; Fierce, E.; Hoard, D.; Hakala, P. J.; Piirola, V.;

The Double-peaked SN 2013ge: A Type Ib/c SN with an Asymmetric Mass Ejection or an Extended Progenitor Envelope

NASA Astrophysics Data System (ADS)

Drout, M. R.; Milisavljevic, D.; Parrent, J.; Margutti, R.; Kamble, A.; Soderberg, A. M.; Challis, P.; Chornock, R.; Fong, W.; Frank, S.; Gehrels, N.; Graham, M. L.; Hsiao, E.; Itagaki, K.; Kasliwal, M.; Kirshner, R. P.; Macomb, D.; Marion, G. H.; Norris, J.; Phillips, M. M.

2016-04-01

We present extensive multiwavelength (radio to X-ray) observations of the Type Ib/c supernova (SN Ib/c) SN 2013ge from -13 to +457 days relative to maximum light, including a series of optical spectra and Swift UV-optical photometry beginning 2-4 days post-explosion. This data set makes SN 2013ge one of the best-observed normal SNe Ib/c at early times—when the light curve is particularly sensitive to the progenitor configuration and mixing of radioactive elements—and reveals two distinct light curve components in the UV bands. The first component rises over 4-5 days and is visible for the first week post-explosion. Spectra of the first component have blue continua and show a plethora of moderately high velocity (˜15,000 km s-1) but narrow (˜3500 km s-1) spectroscopic features, indicating that the line-forming region is restricted. The explosion parameters estimated for the bulk explosion ({M}{{ej}} ˜ 2-3 {M}⊙ ; {E}{{K}} ˜ (1-2) × 1051 erg) are standard for SNe Ib/c, and there is evidence for weak He features at early times—in an object that would have otherwise been classified as Type Ic. In addition, SN 2013ge exploded in a low-metallicity environment (˜0.5 {Z}⊙ ), and we have obtained some of the deepest radio and X-ray limits for an SN Ib/c to date, which constrain the progenitor mass-loss rate to be \\dot{M} < 4 × 10-6 {M}⊙ yr-1. We are left with two distinct progenitor scenarios for SN 2013ge, depending on our interpretation of the early emission. If the first component is cooling envelope emission, then the progenitor of SN 2013ge either possessed an extended (≳30 {R}⊙ ) envelope or ejected a portion of its envelope in the final ≲ 1 yr before core collapse. Alternatively, if the first component is due to outwardly mixed 56Ni, then our observations are consistent with the asymmetric ejection of a distinct clump of nickel-rich material at high velocities. Current models for the collision of an SN shock with a binary companion cannot reproduce both the timescale and luminosity of the early emission in SN 2013ge. Finally, the spectra of the first component of SN 2013ge are similar to those of the rapidly declining SN 2002bj.

Ternary and quaternary oxides of Bi, Sr and Cu

NASA Technical Reports Server (NTRS)

Casais, M. T.; Millan, P.; Rasines, I.; Campa, J. A.

1991-01-01

Before the discovery of superconductivity in an oxide of Bi, Sr, and Cu, the system Bi-Sr-Cu-O had not been studied, although several solid phases had been identified in the two-component regions of the ternary system Bi2O3-Si-O-CuO. The oxides Sr2CuO3, SrCu2O2, SrCuO2, and Bi2CuO4 were then well known and characterized, and the phase diagram of the binary system Bi2O3-SrO had been established in the temperature range 620 to 1000 C. Besides nine solutions of compositions Bi(2-2x) Sr(x) O(3-2x) and different symmetries, this diagram includes three definite compounds of stoichiometries Bi(2)BrO4. Bi2Sr2O5, and Bi2Sr3O6 (x - 0.50, 0.67 and 0.75 respectively), only the second of which with known unit-cell of orthorhombic symmetry, dimensions (A) a = 14.293(2), b = 7.651(2), c = 6.172(1), and z = 4. The first superconducting oxide in the system Bi-Sr-Cu-O was initially formulated as Bi2Sr2Cu2O(7+x), with an orthorhombic unit-cell of parameters (A) a = 5.32, b = 26.6, c = 48.8. In a preliminary study the same oxide was formulated with half the copper content, Bi(2)Sr(2)CuO(6+x), and index its reflections assuming an orthorhombic unit-cell of dimensions (A) a = 5.390(2), b = 26.973(8), c = 24.69(4). Subsequent studies by diffraction techniques have confirmed the composition 2:2:1. A new family of oxygen-deficient perovskites, was characterized, after identifying by x ray diffraction the phases present in the products of thermal treatments of about 150 mixtures of analytical grade Bi2O3, Sr(OH)2-8H2O and CuO at different molar ratios. X ray diffraction data are presented for some other oxides of Bi and Sr, as well as for various quaternary oxides, among them an oxide of Bi, Sr, and Cu.

Carbynes - Carriers of primordial noble gases in meteorites

NASA Technical Reports Server (NTRS)

Whittaker, A. G.; Watts, E. J.; Lewis, R. S.; Anders, E.

1980-01-01

Five carbynes (triply bonded allotropes of carbon) have been found by electron diffraction in the Allende and Murchison carbonaceous chondrites: carbon VI, VIII, X, XI, and (tentatively) XII. From the isotopic composition of the associated noble-gas components, it appears that the carbynes in Allende (C3V chondrite) are local condensates from the solar nebula, whereas at least two carbynes in Murchison (C2 chondrite) are of exotic, presolar origin. They may be dust grains that condensed in stellar envelopes and trapped isotropically anomalous matter from stellar nucleosynthesis.

The Ar-NO van der Waals complex studied by resonant multiphoton ionization spectroscopy involving photoion and photoelectron measurements

NASA Astrophysics Data System (ADS)

Sato, Kenji; Achiba, Yohji; Kimura, Katsumi

1984-07-01

Using a 5% mixture of NO in Ar in a supersonic free jet, in the present work we have carried out measurements of the total ion current in the 380-385 nm laser wavelength region. We have also measured photoelectron kinetic energy spectra at individual ion current peaks. In the ion-current spectrum we have observed a new vibrational progression which consists of four peaks in the wavelength region longer than the peak of the two-photon transition of the free NO molecule NO(X, v″=0) →2hν NO(C,v'=0). It has been concluded that the new ion-current peaks are attributed to bound-to-bound transitions of the Ar-NO van der Waals complex from its ground state to the two-photon resonant state expressed by Ar-NO*(C 2Π, v'=0), in which the NO component is in the 3p Rydberg state. The whole resonant ionization process studied may be expressed by Ar-NO(X, v″=0) →2hνAr-NO*(C, v'=0) →hν Ar-NO+(X, v+=0). Each ion-current peak separation is about 50 cm-1, which may correspond to the frequency of the Ar-NO intermolecular stretching vibration, showing a strong anharmonicity. The dissociation energy (D0) of the Ar-NO*(C 2Π) state has been found to be 0.055±0.001 eV. From the photoelectron spectra, we also conclude that the adiabatic ionization energy of Ar-NO is Ia =9.148±0.005 eV and the dissociation energy of the Ar-NO+(X 1Σ) ion is D0=0.129±0.005 eV.

Exact coupling threshold for structural transition reveals diversified behaviors in interconnected networks.

PubMed

Darabi Sahneh, Faryad; Scoglio, Caterina; Van Mieghem, Piet

2015-10-01

An interconnected network features a structural transition between two regimes [F. Radicchi and A. Arenas, Nat. Phys. 9, 717 (2013)]: one where the network components are structurally distinguishable and one where the interconnected network functions as a whole. Our exact solution for the coupling threshold uncovers network topologies with unexpected behaviors. Specifically, we show conditions that superdiffusion, introduced by Gómez et al. [Phys. Rev. Lett. 110, 028701 (2013)], can occur despite the network components functioning distinctly. Moreover, we find that components of certain interconnected network topologies are indistinguishable despite very weak coupling between them.

Missing-orbital analysis on hyperpolarizability β of organic molecules. Enhancement of the off-diagonal component βzxx using multiple substitutions

NASA Astrophysics Data System (ADS)

Tomonari, Mutsumi; Ookubo, Norio; Takada, Toshikazu

1995-04-01

The first-order hyperpolarizability components, βzzz and βzxx, for C 2v molecules (the z axis being the principal axis) are analyzed after simplified sum-over-states calculations. Compared with p-nitroaniline (PNA), βzxx is three times enhanced by x-extended π conjugation realized by a bulky substrate in 9-amino-10-nitroanthracene (ANA) and by multiple substitutions in 1,5-diamino-2,4-dinitrobenzene (DDB). While ANA shows βzzz unchanged because its z-directed charge transfer (CT) is similar to PNA, DDB has a β zzz1/3 of PNA, which is reduced by two weak CTs introduced by two ortho-positioned donor-acceptor pairs on both sides of the z axis.

Identical phosphatase mechanisms achieved through distinct modes of binding phosphoprotein substrate

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

Pazy, Y.; Motaleb, M.A.; Guarnieri, M.T.

2010-04-05

Two-component signal transduction systems are widespread in prokaryotes and control numerous cellular processes. Extensive investigation of sensor kinase and response regulator proteins from many two-component systems has established conserved sequence, structural, and mechanistic features within each family. In contrast, the phosphatases which catalyze hydrolysis of the response regulator phosphoryl group to terminate signal transduction are poorly understood. Here we present structural and functional characterization of a representative of the CheC/CheX/FliY phosphatase family. The X-ray crystal structure of Borrelia burgdorferi CheX complexed with its CheY3 substrate and the phosphoryl analogue BeF{sub 3}{sup -} reveals a binding orientation between a response regulatormore » and an auxiliary protein different from that shared by every previously characterized example. The surface of CheY3 containing the phosphoryl group interacts directly with a long helix of CheX which bears the conserved (E - X{sub 2} - N) motif. Conserved CheX residues Glu96 and Asn99, separated by a single helical turn, insert into the CheY3 active site. Structural and functional data indicate that CheX Asn99 and CheY3 Thr81 orient a water molecule for hydrolytic attack. The catalytic residues of the CheX-CheY3 complex are virtually superimposable on those of the Escherichia coli CheZ phosphatase complexed with CheY, even though the active site helices of CheX and CheZ are oriented nearly perpendicular to one other. Thus, evolution has found two structural solutions to achieve the same catalytic mechanism through different helical spacing and side chain lengths of the conserved acid/amide residues in CheX and CheZ.« less

Fluorescence lifetimes of anthracycline drugs in phospholipid bilayers determined by frequency-domain fluorometry

NASA Astrophysics Data System (ADS)

Burke, Thomas G.; Malak, Henryk M.; Doroshow, James H.

1990-05-01

Time-resolved fluorescence intensity decay data from anthracycline anticancer drugs present in model membranes were obtained using a gigahertz frequency-domain fluorometer [Lakowicz et al. (1986) Rev. Sci. Instrum. 57, 2499-2506]. Exciting light of 290 nm, modulated at multiple frequencies from 8 MHz to 400 MHz, was used to study the interactions of Adriamycin, daunomycin and related antibiotics with small unilamellar vesicles composed of dimyristoylphosphatidylcholine (DMPC) at 28°C. Fluorescence decay data for drug molecules free in solution as well as bound to membranes were best fit by exponentials requiring two terms rather than by single exponential decays. For example, one-component analysis of the decay data for Adriamycin free in phosphate buffered saline (PBS) solution resulted in a reduced x2 value of 140 ((tau) = 0.88 ns), while a two-component fit resulted in a substantially smaller reduced x2 value of 2.6 ((tau)1 = 1.13 ns, (alpha)1 = 0.60, (tau)2 = 0.30 ns). Upon association with membranes, each of the anthracyclines studied displayed a larger r1 value while the r2 value remained the same or increased (for example, DMPC-bound Adriamycin showed r1 = 1.68 ns , a1 = 0 . 64 , r2 = 0 . 33 ns) . Analyses of the fluorescence emission decays of anthracyclines were also made assuming each decay is composed of a single Lorentzian distribution of lifetimes. Data taken on Adriamycin in PBS, when fit using one continuous component, displayed (tau), (alpha), w, and reduced x2 values of 0.68 ns, 1, 0.60 ns, and 9.1, respectively. The distribution became quite broad upon drug association with membrane (DMPCbound Adriamycin: (tau) = 0.75 ns, (alpha) = 1, w = 2.24 ns, x2 = 13). For each anthracycline studied, continuous component fits showed significant broadening in the distributions upon drug association with membrane. Relatively large shifts in lifetime values were observed for the carminomycin and 4-demethoxydaunomycin analogues upon binding model lipid membranes, making these agents good candidates to employ in future studies on anthracycline interactions with more environmentally-complex biological membranes.

Interferon induction by two 2'-modified double-helical RNAs, poly(2'-fluoro-2'-deoxyinosinic acid) x poly(cytidylic acid) and poly(2'-chloro-2'-deoxyinosinic acid) x poly(cytidylic acid).

PubMed

De Clercq, E; Stollar, B D; Hobbs, J; Fukui, T; Kakiuchi, N; Ikehara, M

1980-01-01

In addition to the 2'-azido analogue of (I)n x (C)n, (dIn3)n x (C)n, we have found two other (I)n x (C)n analogues, (dIfl)n x (C)n and (dIcl)n x (C)n, in which the 2'-hydroxyls of the (I)n strand are replaced by either fluorine or chlorine, to be highly effective in inducing interferon. This contrasted with the lack of interferon-inducing activity noted for various other 2'-halogeno analogues of (I)n x (C)n and (A)n x (U)n, i.e. (I)n x (dCcl)n, (dAfl)n x (U)n, (dAcl)n x (U)n, (A)n x (dUfl)n and (A)n x (dUcl)n. In most assay systems, viz. primary rabbit kidney cells, human diploid fibroblasts, HeLa cells, interferon-primed mouse L-929 cells, and intact rabbits, (dIfl)n x (C)n and (dIcl)n x (C)n induced interferon levels that were comparable to those induced by (I)n x (C)n. There was one particular system (L-929 cells treated with DEAE-dextran), however, in which (dIfl)n x (C)n and (dIcl)n x (C)n, unlike (I)n x (C)n, failed to stimulate interferon production. As monitored by both radiochemical and biological means, (dIfl)n x (C)n and, to a lesser extent, (dIcl)n x (C)n were more resistant to degradation by ribonuclease A, T1 and human serum nucleases than was (I)n x (C)n. In their reactivity towards antibodies to double-stranded RNA (dIfl)n x (C)n and (dIcl)n x (C)n conformed more closely to (I)n x (C)n than did other 2'-substituted (e.g. 2'-O-methyl or 2'-O-ethyl) analogues of (I)n x (C)n. The high interferon-inducing potency of (dIfl)n x (C)n and (dIcl)n x (C)n has both theoretical and practical implications. While our findings suggest that (dIfl)n x (C)n and (dIcl)n x (C)n should be further explored for their therapeutic potentials, they also strengthen the notion that the interferon-inducing capacity, and possibly other biological functions of double-stranded RNAs is dependent on the recognition of the overall conformation of the polynucleotide rather than on the binding of specific functional groups such as the 2'-hydroxyl group.

Influence of miscut Y2O3-stabilized ZrO2 substrates on the azimuthal domain structure and ferroelectric properties of epitaxial La-substituted Bi4Ti3O12 films

NASA Astrophysics Data System (ADS)

Lee, Sung Kyun; Hesse, Dietrich; Gösele, Ulrich; Lee, Ho Nyung

2006-09-01

We have investigated the influence of both miscut angle and miscut direction of Y2O3-stabilized ZrO2 (YSZ) (100) single crystal substrates on the azimuthal domain structure of SrRuO3 electrode layers as well as of La-substituted Bi4Ti3O12 (BLT) ferroelectric thin films, both grown on these substrates by pulsed laser deposition. X-ray diffraction ϕ scan and pole figure characterizations revealed that the YSZ[011] miscut direction is more effective to uniformly reduce the number of azimuthal domain variants in the films than the YSZ[001] miscut direction. The BLT films on YSZ(100) substrates with miscut angle of 5° and [011] miscut direction involve only half the number of azimuthal domains, compared to the BLT films on exactly cut YSZ(100) substrates. Atomic force microscopy and plan-view transmission electron microscopy also confirmed that almost all BLT grains on these miscut YSZ(100) substrates are arranged along only two (out of four) specific azimuthal directions. The BLT films on YSZ(100) substrates with 5° miscut towards YSZ[011] showed an about 1.3 times higher remanent polarization (Pr=12.5μC /cm2) than the BLT films on exactly cut YSZ(100) substrates (Pr=9.5μC/cm2), due most probably to a lower areal density of azimuthal domain boundaries. It thus appears that reducing the structural domains can be an effective way to further enhance the ferroelectric properties of multiply twinned, epitaxial ferroelectric films.

Model for the Formation and Evolution of Sand Ridges on the Continental Shelf

DTIC Science & Technology

1992-10-01

difficulties of conducting laboratory experiments involving liquid/sediment media (such as leveling the sediment bed after each trial, extracting gas...reflected component, the 54 55 bottom velocities to lowest order are Uob = uo+ 32’.uoxr = E’= 1 Cja(X, y)e(•k’x-W’t) + c.c. (3.3) Vob = VO + 02 2 h(3 Vb2 To

Renormalization of Extended QCD2

NASA Astrophysics Data System (ADS)

Fukaya, Hidenori; Yamamura, Ryo

2015-10-01

Extended QCD (XQCD), proposed by Kaplan [D. B. Kaplan, arXiv:1306.5818], is an interesting reformulation of QCD with additional bosonic auxiliary fields. While its partition function is kept exactly the same as that of original QCD, XQCD naturally contains properties of low-energy hadronic models. We analyze the renormalization group flow of 2D (X)QCD, which is solvable in the limit of a large number of colors N_c, to understand what kind of roles the auxiliary degrees of freedom play and how the hadronic picture emerges in the low-energy region.

Indirect NMR spin-spin coupling constants in diatomic alkali halides

NASA Astrophysics Data System (ADS)

Jaszuński, Michał; Antušek, Andrej; Demissie, Taye B.; Komorovsky, Stanislav; Repisky, Michal; Ruud, Kenneth

2016-12-01

We report the Nuclear Magnetic Resonance (NMR) spin-spin coupling constants for diatomic alkali halides MX, where M = Li, Na, K, Rb, or Cs and X = F, Cl, Br, or I. The coupling constants are determined by supplementing the non-relativistic coupled-cluster singles-and-doubles (CCSD) values with relativistic corrections evaluated at the four-component density-functional theory (DFT) level. These corrections are calculated as the differences between relativistic and non-relativistic values determined using the PBE0 functional with 50% exact-exchange admixture. The total coupling constants obtained in this approach are in much better agreement with experiment than the standard relativistic DFT values with 25% exact-exchange, and are also noticeably better than the relativistic PBE0 results obtained with 50% exact-exchange. Further improvement is achieved by adding rovibrational corrections, estimated using literature data.

Isolation and characterization of rhamnose-binding lectins from eggs of steelhead trout (Oncorhynchus mykiss) homologous to low density lipoprotein receptor superfamily.

PubMed

Tateno, H; Saneyoshi, A; Ogawa, T; Muramoto, K; Kamiya, H; Saneyoshi, M

1998-07-24

Two L-rhamnose-binding lectins named STL1 and STL2 were isolated from eggs of steelhead trout (Oncorhynchus mykiss) by affinity chromatography and ion exchange chromatography. The apparent molecular masses of purified STL1 and STL2 were estimated to be 84 and 68 kDa, respectively, by gel filtration chromatography. Sodium dodecyl sulfate polyacrylamide gel electrophoresis and matrix-assisted laser desorption ionization time of flight mass spectrometry of these lectins revealed that STL1 was composed of noncovalently linked trimer of 31.4-kDa subunits, and STL2 was noncovalently linked trimer of 21.5-kDa subunits. The minimum concentrations of STL1, a major component, and STL2, a minor component, needed to agglutinate rabbit erythrocytes were 9 and 0.2 microg/ml, respectively. The most effective saccharide in the hemagglutination inhibition assay for both STL1 and STL2 was L-rhamnose. Saccharides possessing the same configuration of hydroxyl groups at C2 and C4 as that in L-rhamnose, such as L-arabinose and D-galactose, also inhibited. The amino acid sequence of STL2 was determined by analysis of peptides generated by digestion of the S-carboxamidomethylated protein with Achromobacter protease I or Staphylococcus aureus V8 protease. The STL2 subunit of 195 amino acid residues proved to have a unique polypeptide architecture; that is, it was composed of two tandemly repeated homologous domains (STL2-N and STL2-C) with 52% internal homology. These two domains showed a sequence homology to the subunit (105 amino acid residues) of D-galactoside-specific sea urchin (Anthocidaris crassispina) egg lectin (37% for STL2-N and 46% for STL2-C, respectively). The N terminus of the STL1 subunit was blocked with an acetyl group. However, a partial amino acid sequence of the subunit showed a sequence similarity to STL2. Moreover, STL2 also showed a sequence homology to the ligand binding domain of the vitellogenin receptor. We have also employed surface plasmon resonance biosensor methodology to investigate the interactions between STL2 and major egg yolk proteins from steelhead trout, lipovitellin, and beta'-component, which are known as vitellogenin digests. Interestingly, STL2 showed distinct interactions with both egg yolk proteins. The estimated values for the affinity constant (Ka) of STL2 to lipovitellin and beta' component were 3.44 x 10(6) and 4.99 x 10(6), respectively. These results suggest that the fish egg lectins belong to a new family of animal lectin structurally related to the low density lipoprotein receptor super- family.

THE INACTIVATION OF PENICILLINS F, G, K, AND X BY HUMAN AND RABBIT SERUM

PubMed Central

Eagle, Harry

1947-01-01

1. Penicillins F, G, K, and X were all inactivated by human and rabbit serum, but two qualitatively distinct mechanisms were apparently involved. 2. One was a slow inactivation of all four penicillins by a relatively thermostable serum component which was not demonstrably affected by heating for 60 minutes at 56°C. (a) In both human and rabbit serum this general inactivation of penicillin behaved like a pseudo first order reaction, with a velocity constant of 0.05–0.07 for penicillin X, and 0.09–0.11 for penicillins F and G. (b) The percentage of penicillins F, G, and X inactivated per hour was independent of their concentration over the range 0.4 to 50 micrograms per cc., averaging 9.5, 10, and 6.5 per cent, respectively, in human serum, and 9,8.5, and 5 per cent in rabbit serum. (c) The rate of inactivation varied linearly with the concentration of the serum factor. (d) Penicillin X was consistently and significantly less susceptible to inactivation than any of the other penicillins. Although minor differences were observed between F and G, these were not consistent, and are of questionable significance. 3. Superimposed on this slow inactivation of penicillins F, G, K, and X by a thermostable serum component was a much faster inactivation observed only with penicillin K. (a) In both rabbit and human serum, the serum factor responsible for this inactivation was highly thermolabile, and was almost completely destroyed within 5 minutes at 56°C., leaving only a thermostable component, not affected by further heating. (b) The inactivation of K by this thermolabile component was not a first order reaction, but varied with the concentration of both serum and penicillin. At high concentrations of K, the rate of inactivation due to the thermolabile factor was negligible, and penicillin K was destroyed no more rapidly than F, G, or X. The rate of inactivation increased as the concentration of penicillin was reduced. At penicillin K concentrations of 50, 10, 2, and 0.4 micrograms per cc., the hourly destruction in rabbit serum averaged 10, 16, 21, and 54 per cent. The corresponding figures in human serum were 10, 11, 14, and 54 per cent. The reservations entailed by the large serum error at the lower concentrations of penicillin are discussed in the text. 4. The temperature coefficient for the inactivation of penicillin K by fresh human or rabbit serum was 2.5 for each 10°C. No significant inactivation was observed in 24 hours at 20°C.; and this was true also of penicillins F, G, and X. 5. Heparinized plasma was just as active as serum, washed red blood cells had no effect, and the activity of whole blood was referable to its plasma content. 6. The nature of the serum factors responsible for these two types of penicillin inactivation are under present study. 7. The urinary excretion of penicillin is so rapid that the slow destruction of penicillins F, G, and X in the circulating blood as here described is of secondary significance therapeutically. It nevertheless must contribute to their rapid disappearance from the blood; and the fact that X is inactivated more slowly than either F or G could be reflected in higher and more sustained blood levels than are afforded by the latter two species. There are some reports that such is the case (15–17), and the following paper provides further evidence for the superiority of penicillin X in this respect over the other species so far studied. The serum inactivation of penicillin K, at a rate which increases as its concentration falls, should be reflected in significantly lower and more evanescent blood levels than are observed with penicillins F, G, or X. As will be discussed in the following paper, this has been found to be the case, and provides a simple explanation for its paradoxically low therapeutic activity in vivo (8–11). PMID:19871604

Face-to-face stacks of trinuclear gold(I) trihalides with benzene, hexafluorobenzene, and borazine: impact of aromaticity on stacking interactions.

PubMed

Tsipis, Athanassios C; Stalikas, Alexandros V

2013-01-18

The interplay of electrostatics, charge transfer, and dispersion forces contributing to the interaction energies in 1:1, 1:2, and 2:1 binary stacks of the c-Au(3)(μ(2)-X)(3) (X = F, Cl, Br, I) clusters with benzene, hexafluorobenzene, or borazine were investigated by employing a multitude of electronic structure computational techniques. The molecular and electronic structures, stabilities, bonding features, and magnetotropicity of [c-Au(3)(μ(2)-X)(3)](n)(L)(m) (X = halide; L = C(6)H(6), C(6)F(6), B(3)N(3)H(6); n, m ≤ 2) columnar binary stacks have been investigated by DFT calculations employing the M05-2X functional. The novel binary stacks could be considered as the building blocks of extended columnar supramolecular assemblies formulated as {[c-Au(3)(μ(2)-X)(3)](C(6)H(6))}(∞), {[c-Au(3)(μ(2)-X)(3)](2)(C(6)F(6))}(∞), and {[c-Au(3)(μ(2)-X)(3)](B(3)N(3)H(6))(2)}(∞). In all binary stacks, with a few exceptions, the plane of the alternating c-Au(3)(μ(2)-X)(3) and L (C(6)H(6), C(6)F(6), B(3)N(3)H(6)) stacking participants adopt an almost parallel face-to-face (pff) orientation. The observed trends in the intermolecular distances R in the [c-Au(3)(μ(2)-X)(3)](n)(L)(m) (X = halide; L = C(6)H(6), C(6)F(6), B(3)N(3)H(6); n, m ≤ 2) columnar binary stacks are explained by the diverse intermolecular interactions characterizing the stacks, since the three ligands L and the c-Au(3)(μ(2)-X)(3) cyclic trinuclear clusters (CTCs) exhibit diverse physical properties being important determinants of the intermolecular interactions (consisting of covalent, electrostatic, and dispersion forces). The properties considered are the zz tensor components of quadrupole moment, Q(zz), polarizability, α(zz), nucleus-independent chemical shift, NICS(zz)(1), along with the molecular electrostatic potential, MEP(0), and surface area (S). Energy decomposition analysis (EDA) at the revPBE-D3/TZ2P level revealed that the dominant term in the stacking interactions arises mainly from dispersion and electrostatic forces, while the contribution of covalent interactions are predicted to be small. On the other hand, charge decomposition analysis (CDA) illustrated very small charge transfer from the L stacking participants toward the c-Au(3)(μ(2)-X)(3) clusters. Excellent linear correlations of the interaction energy, ΔE(int), and its components (ΔE(disp), ΔE(elstat), ΔE(orb), and ΔE(Pauli)) with calculated physical properties related to dispersion, covalent, and electrostatic forces have been established. The most important finding is the excellent linear relationship between ΔE(int) and the NICS(zz)(1) magnetic criterion of aromaticity, indicating that ΔE(int) is also affected by the coupling of the induced magnetic fields of the interacting stacking participants. The magnetotropicity of the binary stacks evaluated by the NICS(zz)-scan curves indicated an enhancement of the diatropicity in the space between the interacting inorganic and organic rings, probably due to the superposition of the diamagnetic ring currents of the interacting ring systems. The energy splitting in dimer (ESID) model was employed to estimate the charge transport of electrons and holes between the ligands L and the [c-Au(3)(μ(2)-X)(3)] clusters in [c-Au(3)(μ(2)-X)(3)](L) 1:1 binary stacks.

Hidden Active Galactic Nuclei in Early-type Galaxies

NASA Astrophysics Data System (ADS)

Paggi, Alessandro; Fabbiano, Giuseppina; Civano, Francesca; Pellegrini, Silvia; Elvis, Martin; Kim, Dong-Woo

2016-06-01

We present a stacking analysis of the complete sample of early-type galaxies (ETGs) in the Chandra COSMOS (C-COSMOS) survey, to explore the nature of the X-ray luminosity in the redshift and stellar luminosity ranges 0\\lt z\\lt 1.5 and {10}9\\lt {L}K/{L}⊙ \\lt {10}13. Using established scaling relations, we subtract the contribution of X-ray binary populations to estimate the combined emission of hot ISM and active galactic nuclei (AGNs). To discriminate between the relative importance of these two components, we (1) compare our results with the relation observed in the local universe {L}X,{gas}\\propto {L}K4.5 for hot gaseous halos emission in ETGs, and (2) evaluate the spectral signature of each stacked bin. We find two regimes where the non-stellar X-ray emission is hard, consistent with AGN emission. First, there is evidence of hard, absorbed X-ray emission in stacked bins including relatively high z (˜1.2) ETGs with average high X-ray luminosity ({L}X {- {LMXB}}≳ 6× {10}42 {{erg}} {{{s}}}-1). These luminosities are consistent with the presence of highly absorbed “hidden” AGNs in these ETGs, which are not visible in their optical-IR spectra and spectral energy distributions. Second, confirming the early indication from our C-COSMOS study of X-ray detected ETGs, we find significantly enhanced X-ray luminosity in lower stellar mass ETGs ({L}K≲ {10}11{L}⊙ ), relative to the local {L}X,{gas}\\propto {L}K4.5 relation. The stacked spectra of these ETGs also suggest X-ray emission harder than expected from gaseous hot halos. This emission is consistent with inefficient accretion {10}-5-{10}-4{\\dot{M}}{Edd} onto {M}{BH}˜ {10}6-{10}8 {M}⊙ .

Measurements of ψ(2S) and X(3872) → J/ψπ +π – production in pp collisions at $$ \\sqrt{s}=8 $$ TeV with the ATLAS detector

DOE PAGES

Aaboud, M.; Aad, G.; Abbott, B.; ...

2017-01-26

Differential cross sections are presented for the prompt and non-prompt production of the hidden-charm states X(3872) and ψ(2S), in the decay mode J/ψπ +π –, measured using 11.4 fb –1 of pp collisions at √s = 8 TeV by the ATLAS detector at the LHC. The ratio of cross-sections X(3872)/ψ(2S) is also given, separately for prompt and non-prompt components, as well as the non-prompt fractions of X(3872) and ψ(2S). Assuming independent single effective lifetimes for non-prompt X(3872) and ψ(2S) production gives R B = B(B→X(3872)+any)B(X(3872)→J/ψπ+π–)/B(B→ψ(2S)+any)B(ψ(2S)→J/ψπ+π–)=(3.95±0.32(stat)±0.08(sys))×10 –2 separating short- and long-lived contributions, assuming that the short-lived component is due to Bmore » c decays, gives R B = (3.57 ± 0.33(stat) ± 0.11(sys)) × 10 –2, with the fraction of non-prompt X(3872) produced via B c decays for p T(X(3872)) > 10 GeV being (25 ± 13(stat) ± 2(sys) ± 5(spin))%. The distributions of the dipion invariant mass in the X(3872) and ψ(2S) decays are also measured and compared to theoretical predictions.« less

Measurements of ψ(2S) and X(3872) → J/ψπ +π – production in pp collisions at $$ \\sqrt{s}=8 $$ TeV with the ATLAS detector

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

Aaboud, M.; Aad, G.; Abbott, B.

Differential cross sections are presented for the prompt and non-prompt production of the hidden-charm states X(3872) and ψ(2S), in the decay mode J/ψπ +π –, measured using 11.4 fb –1 of pp collisions at √s = 8 TeV by the ATLAS detector at the LHC. The ratio of cross-sections X(3872)/ψ(2S) is also given, separately for prompt and non-prompt components, as well as the non-prompt fractions of X(3872) and ψ(2S). Assuming independent single effective lifetimes for non-prompt X(3872) and ψ(2S) production gives R B = B(B→X(3872)+any)B(X(3872)→J/ψπ+π–)/B(B→ψ(2S)+any)B(ψ(2S)→J/ψπ+π–)=(3.95±0.32(stat)±0.08(sys))×10 –2 separating short- and long-lived contributions, assuming that the short-lived component is due to Bmore » c decays, gives R B = (3.57 ± 0.33(stat) ± 0.11(sys)) × 10 –2, with the fraction of non-prompt X(3872) produced via B c decays for p T(X(3872)) > 10 GeV being (25 ± 13(stat) ± 2(sys) ± 5(spin))%. The distributions of the dipion invariant mass in the X(3872) and ψ(2S) decays are also measured and compared to theoretical predictions.« less

Experimental and Numerical Analysis of Electric Currents and Electromagnetic Blunting of Cracks in Thin Plates

DTIC Science & Technology

1984-12-01

currents are assumed to flow parallel to midsurface of the plate. 6. The normal component of the induced magnetic field does not vary across the...is coincident with the midsurface of the plate. The relationship between the two coordinates is given by: X = x(a, B) ^ y = y(c’, e) Z

Heteromultimerization modulates P2X receptor functions through participating extracellular and C-terminal subdomains.

PubMed

Koshimizu, Taka-aki; Ueno, Susumu; Tanoue, Akito; Yanagihara, Nobuyuki; Stojilkovic, Stanko S; Tsujimoto, Gozoh

2002-12-06

P2X purinergic receptors (P2XRs) differ among themselves with respect to their ligand preferences and channel kinetics during activation, desensitization, and recovery. However, the contributions of distinct receptor subdomains to the subtype-specific behavior have been incompletely characterized. Here we show that homomeric receptors having the extracellular domain of the P2X(3) subunit in the P2X(2a)-based backbone (P2X(2a)/X(3)ex) mimicked two intrinsic functions of P2X(3)R, sensitivity to alphabeta-methylene ATP and ecto-ATPase-dependent recovery from endogenous desensitization; these two functions were localized to the N- and C-terminal halves of the P2X(3) extracellular loop, respectively. The chimeric P2X(2a)R/X(3)ex receptors also desensitized with accelerated rates compared with native P2X(2a)R, and the introduction of P2X(2) C-terminal splicing into the chimeric subunit (P2X(2b)/X(3)ex) further increased the rate of desensitization. Physical and functional heteromerization of native P2X(2a) and P2X(2b) subunits was also demonstrated. In heteromeric receptors, the ectodomain of P2X(3) was a structural determinant for ligand selectivity and recovery from desensitization, and the C terminus of P2X(2) was an important factor for the desensitization rate. Furthermore, [gamma-(32)P]8-azido ATP, a photoreactive agonist, was effectively cross-linked to P2X(3) subunit in homomeric receptors but not in heteromeric P2X(2) + P2X(3)Rs. These results indicate that heteromeric receptors formed by distinct P2XR subunits develop new functions resulting from integrative effects of the participating extracellular and C-terminal subdomains.

Genetic analysis of autoimmune regulator haplotypes in alopecia areata.

PubMed

Wengraf, D A; McDonagh, A J G; Lovewell, T R J; Vasilopoulos, Y; Macdonald-Hull, S P; Cork, M J; Messenger, A G; Tazi-Ahnini, R

2008-03-01

Alopecia areata is an immune-mediated disorder, occurring with the highest observed frequency in the rare recessive autoimmune polyendocrinopathy-candidiasis-ectodermal dystrophy (APECED) syndrome caused by mutations of the autoimmune regulator (AIRE) gene on chromosome 21q22.3. We have previously detected association between alopecia areata and a single nucleotide polymorphism (SNP) in the AIRE gene in patients without APECED, and we now report the findings of an extended examination of the association of alopecia areata with haplotype analysis including six SNPs in the AIRE gene: C-103T, C4144G, T5238C, G6528A, T7215C and T11787C. In Caucasian groups of 295 patients and 363 controls, we found strong association between the AIRE 7215C allele and AA [P = 3.8 x 10(-8), OR (95% CI): 2.69 (1.8-4.0)]. The previously reported association between AA and the AIRE 4144G allele was no longer significant on correction for multiple testing. The AIRE haplotypes CCTGCT and CGTGCC showed a highly significant association with AA [P = 6.05 x 10(-6), 9.47 (2.91-30.8) and P = 0.001, 3.51 (1.55-7.95), respectively]. To select the haplotypes most informative for analysis, we tagged the polymorphisms using SNPTag software. Employing AIRE C-103T, G6528A, T7215C and T11787C as tag SNPs, two haplotypes were associated with AA; AIRE CGCT and AIRE CGCC [P = 3.84 x 10(-7), 11.40 (3.53-36.9) and P = 3.94 x 10(-4), 2.13 (1.39-3.24) respectively]. The AIRE risk haplotypes identified in this study potentially account for a major component of the genetic risk of developing alopecia areata.

Properties of Soil Pore Space Regulate Pathways of Plant Residue Decomposition and Community Structure of Associated Bacteria

PubMed Central

Negassa, Wakene C.; Guber, Andrey K.; Kravchenko, Alexandra N.; Marsh, Terence L.; Hildebrandt, Britton; Rivers, Mark L.

2015-01-01

Physical protection of soil carbon (C) is one of the important components of C storage. However, its exact mechanisms are still not sufficiently lucid. The goal of this study was to explore the influence of soil structure, that is, soil pore spatial arrangements, with and without presence of plant residue on (i) decomposition of added plant residue, (ii) CO2 emission from soil, and (iii) structure of soil bacterial communities. The study consisted of several soil incubation experiments with samples of contrasting pore characteristics with/without plant residue, accompanied by X-ray micro-tomographic analyses of soil pores and by microbial community analysis of amplified 16S–18S rRNA genes via pyrosequencing. We observed that in the samples with substantial presence of air-filled well-connected large (>30 µm) pores, 75–80% of the added plant residue was decomposed, cumulative CO2 emission constituted 1,200 µm C g-1 soil, and movement of C from decomposing plant residue into adjacent soil was insignificant. In the samples with greater abundance of water-filled small pores, 60% of the added plant residue was decomposed, cumulative CO2 emission constituted 2,000 µm C g-1 soil, and the movement of residue C into adjacent soil was substantial. In the absence of plant residue the influence of pore characteristics on CO2 emission, that is on decomposition of the native soil organic C, was negligible. The microbial communities on the plant residue in the samples with large pores had more microbial groups known to be cellulose decomposers, that is, Bacteroidetes, Proteobacteria, Actinobacteria, and Firmicutes, while a number of oligotrophic Acidobacteria groups were more abundant on the plant residue from the samples with small pores. This study provides the first experimental evidence that characteristics of soil pores and their air/water flow status determine the phylogenetic composition of the local microbial community and directions and magnitudes of soil C decomposition processes. PMID:25909444

Properties of soil pore space regulate pathways of plant residue decomposition and community structure of associated bacteria.

PubMed

Negassa, Wakene C; Guber, Andrey K; Kravchenko, Alexandra N; Marsh, Terence L; Hildebrandt, Britton; Rivers, Mark L

2015-01-01

Physical protection of soil carbon (C) is one of the important components of C storage. However, its exact mechanisms are still not sufficiently lucid. The goal of this study was to explore the influence of soil structure, that is, soil pore spatial arrangements, with and without presence of plant residue on (i) decomposition of added plant residue, (ii) CO2 emission from soil, and (iii) structure of soil bacterial communities. The study consisted of several soil incubation experiments with samples of contrasting pore characteristics with/without plant residue, accompanied by X-ray micro-tomographic analyses of soil pores and by microbial community analysis of amplified 16S-18S rRNA genes via pyrosequencing. We observed that in the samples with substantial presence of air-filled well-connected large (>30 µm) pores, 75-80% of the added plant residue was decomposed, cumulative CO2 emission constituted 1,200 µm C g(-1) soil, and movement of C from decomposing plant residue into adjacent soil was insignificant. In the samples with greater abundance of water-filled small pores, 60% of the added plant residue was decomposed, cumulative CO2 emission constituted 2,000 µm C g(-1) soil, and the movement of residue C into adjacent soil was substantial. In the absence of plant residue the influence of pore characteristics on CO2 emission, that is on decomposition of the native soil organic C, was negligible. The microbial communities on the plant residue in the samples with large pores had more microbial groups known to be cellulose decomposers, that is, Bacteroidetes, Proteobacteria, Actinobacteria, and Firmicutes, while a number of oligotrophic Acidobacteria groups were more abundant on the plant residue from the samples with small pores. This study provides the first experimental evidence that characteristics of soil pores and their air/water flow status determine the phylogenetic composition of the local microbial community and directions and magnitudes of soil C decomposition processes.

Well-Coupled Nanohybrids Obtained by Component-Controlled Synthesis and in Situ Integration of Mn xPd y Nanocrystals on Vulcan Carbon for Electrocatalytic Oxygen Reduction.

PubMed

Lu, Yanan; Zhao, Shulin; Yang, Rui; Xu, Dongdong; Yang, Jing; Lin, Yue; Shi, Nai-En; Dai, Zhihui; Bao, Jianchun; Han, Min

2018-03-07

Development of cheap, highly active, and robust bimetallic nanocrystal (NC)-based nanohybrid (NH) electrocatalysts for oxygen reduction reaction (ORR) is helpful for advancing fuel cells or other renewable energy technologies. Here, four kinds of well-coupled Mn x Pd y (MnPd 3 , MnPd-Pd, Mn 2 Pd 3 , Mn 2 Pd 3 -Mn 11 Pd 21 )/C NHs have been synthesized by in situ integration of Mn x Pd y NCs with variable component ratios on pretreated Vulcan XC-72 C using the solvothermal method accompanied with annealing under Ar/H 2 atmosphere and used as electrocatalysts for ORR. Among them, the MnPd 3 /C NHs possess the unique "half-embedded and half-encapsulated" interfaces and exhibit the highest catalytic activity, which can compete with some currently reported non-Pt catalysts (e.g., Ag-Co nanoalloys, Pd 2 NiAg NCs, PdCo/N-doped porous C, G-Cu 3 Pd nanocomposites, etc.), and close to commercial Pt/C. Electrocatalytic dynamic measurements disclose that their ORR mechanism abides by the direct 4e - pathway. Moreover, their durability and methanol-tolerant capability are much higher than that of Pt/C. As revealed by spectroscopic and electrochemical analyses, the excellent catalytic performance of MnPd 3 /C NHs results from the proper component ratio of Mn and Pd and the strong interplay of their constituents, which not only facilitate to optimize the d-band center or the electronic structure of Pd but also induce the phase transformation of MnPd 3 active components and enhance their conductivity or interfacial electron transfer dynamics. This work demonstrates that MnPd 3 /C NHs are promising methanol-tolerant cathode electrocatalysts that may be employed in fuel cells or other renewable energy option.

NRL Review, 2008

DTIC Science & Technology

2008-01-01

submicron powders in situ. Facilities to process powder into bulk specimens by hot and cold isostatic pressing permit a variety of consolidation...two types of nanoparticles, (YxHo1–x)2O3 and Cu - Ba-Ho-Y (exact stoichiometry yet to be determined), are formed during the deposition process ... Properties by Tailor- ing Nanoparticles in Holmium-doped YBa 2 Cu 3 O 7-d Superconductors 187 Molecular Memory Circuits Using a Virus as a Template 189

A comparison of modelling techniques used to characterise oxygen uptake kinetics during the on-transient of exercise.

PubMed

Bell, C; Paterson, D H; Kowalchuk, J M; Padilla, J; Cunningham, D A

2001-09-01

We compared estimates for the phase 2 time constant (tau) of oxygen uptake (VO2) during moderate- and heavy-intensity exercise, and the slow component of VO2 during heavy-intensity exercise using previously published exponential models. Estimates for tau and the slow component were different (P < 0.05) among models. For moderate-intensity exercise, a two-component exponential model, or a mono-exponential model fitted from 20 s to 3 min were best. For heavy-intensity exercise, a three-component model fitted throughout the entire 6 min bout of exercise, or a two-component model fitted from 20 s were best. When the time delays for the two- and three-component models were equal the best statistical fit was obtained; however, this model produced an inappropriately low DeltaVO2/DeltaWR (WR, work rate) for the projected phase 2 steady state, and the estimate of phase 2 tau was shortened compared with other models. The slow component was quantified as the difference between VO2 at end-exercise (6 min) and at 3 min (DeltaVO2 (6-3 min)); 259 ml x min(-1)), and also using the phase 3 amplitude terms (truncated to end-exercise) from exponential fits (409-833 ml x min(-1)). Onset of the slow component was identified by the phase 3 time delay parameter as being of delayed onset approximately 2 min (vs. arbitrary 3 min). Using this delay DeltaVO2 (6-2 min) was approximately 400 ml x min(-1). Use of valid consistent methods to estimate tau and the slow component in exercise are needed to advance physiological understanding.

Reflection and Non-Reflection of Particle Wavepackets

ERIC Educational Resources Information Center

Cox, Timothy; Lekner, John

2008-01-01

Exact closed-form solutions of the time-dependent Schrodinger equation are obtained, describing the propagation of wavepackets in the neighbourhood of a potential. Examples given include zero reflection, total reflection and partial reflection of the wavepacket, for the sech[superscript 2]x/a, 1/x[superscript 2] and delta(x) potentials,…

Multiple-Component Remediation for Developmental Reading Disabilities: IQ, Socioeconomic Status, and Race as Factors in Remedial Outcome

ERIC Educational Resources Information Center

Morris, Robin D.; Lovett, Maureen W.; Wolf, Maryanne; Sevcik, Rose A.; Steinbach, Karen A.; Frijters, Jan C.; Shapiro, Marla B.

2012-01-01

Results from a controlled evaluation of remedial reading interventions are reported: 279 young disabled readers were randomly assigned to a program according to a 2 x 2 x 2 factorial design (IQ, socioeconomic status [SES], and race). The effectiveness of two multiple-component intervention programs for children with reading disabilities (PHAB +…

Porous Two-Dimensional Transition Metal Carbide (MXene) Flakes for High-Performance Li-Ion Storage

DOE PAGES

Ren, Chang E.; Zhao, M-Q; Makaryan, Taron; ...

2016-02-16

Herein we develop a chemical etching method to produce porous two-dimensional (2D) Ti 3C 2T x MXenes at room temperature in aqueous solutions. The as-produced porous Ti 3C 2T x (p-Ti 3C 2T x) have larger specific surface areas and more open structures than their pristine counterparts, and can be fabricated into flexible films with, or without, the addition of carbon nanotubes (CNTs). The as-fabricated p-Ti 3C 2T x/CNT films showed significantly improved lithium ion storage capabilities compared to pristine Ti 3C 2T x based films, with a very high capacity of ≈1250 mAh g -1 at 0.1 C, excellentmore » cycling stability, and good rate performance (330 mAh g -1 at 10 C). Using the same chemical etching method, we also made porous Nb 2CT x and V 2CT x MXenes. Therefore, this study provides a simple, yet effective, procedure to introduce pores into MXenes and possibly other 2D sheets that in turn, can enhance their electrochemical properties.« less

Composition-dependent properties and phase stability of Fe-Pd ferromagnetic shape memory alloys: A first-principles study

NASA Astrophysics Data System (ADS)

Li, Chun-Mei; Hu, Yan-Fei

2017-12-01

The composition-dependent properties and their correlation with the phase stability of Fe75+xPd25-x (- 10.0 ≤x ≤10.0 ) alloys are systematically investigated by using first-principles exact muffin-tin orbitals (EMTO)-coherent potential approximation (CPA) calculations. It is shown that the martensitic transformation (MT) from L 12 to body-centered-tetragonal (bct) occurs in the ordered alloys with about -5.0 ≤x ≤10.0 . In both the L 12 and bct phases, the evaluated a and c/a agree well with the available experimental data; the average magnetic moment per atom increases whereas the local magnetic moments of Fe atoms, dependent on both their positions and the structure of the alloy, decrease with increasing x. The tetragonal shear elastic constant of the L 12 phase ( C ' ) decreases whereas that of the bct phase (Cs) increases with x. The tetragonality of the martensite ( |1 -c /a | ) increases whereas its energy relative to the austenite with a negative value decreases with Fe addition. All these effects account for the increase of MT temperature (TM) with x. The MT from L 12 to bct is finally confirmed originating from the splitting of Fe 3d Eg and T2 g bands upon tetragonal distortion due to the Jahn-Teller effect.

Freeze-dried, mucoadhesive system for vaginal delivery of the HIV microbicide, dapivirine: optimisation by an artificial neural network.

PubMed

Woolfson, A David; Umrethia, Manish L; Kett, Victoria L; Malcolm, R Karl

2010-03-30

Dapivirine mucoadhesive gels and freeze-dried tablets were prepared using a 3x3x2 factorial design. An artificial neural network (ANN) with multi-layer perception was used to investigate the effect of hydroxypropyl-methylcellulose (HPMC): polyvinylpyrrolidone (PVP) ratio (X1), mucoadhesive concentration (X2) and delivery system (gel or freeze-dried mucoadhesive tablet, X3) on response variables; cumulative release of dapivirine at 24h (Q(24)), mucoadhesive force (F(max)) and zero-rate viscosity. Optimisation was performed by minimising the error between the experimental and predicted values of responses by ANN. The method was validated using check point analysis by preparing six formulations of gels and their corresponding freeze-dried tablets randomly selected from within the design space of contour plots. Experimental and predicted values of response variables were not significantly different (p>0.05, two-sided paired t-test). For gels, Q(24) values were higher than their corresponding freeze-dried tablets. F(max) values for freeze-dried tablets were significantly different (2-4 times greater, p>0.05, two-sided paired t-test) compared to equivalent gels. Freeze-dried tablets having lower values for X1 and higher values for X2 components offered the best compromise between effective dapivirine release, mucoadhesion and viscosity such that increased vaginal residence time was likely to be achieved. Copyright (c) 2009 Elsevier B.V. All rights reserved.

Spacetime Symmetries and Conformal Data in the Continuous Multiscale Entanglement Renormalization Ansatz

NASA Astrophysics Data System (ADS)

Hu, Q.; Vidal, G.

2017-07-01

The generalization of the multiscale entanglement renormalization ansatz (MERA) to continuous systems, or cMERA [Haegeman et al., Phys. Rev. Lett. 110, 100402 (2013), 10.1103/PhysRevLett.110.100402], is expected to become a powerful variational ansatz for the ground state of strongly interacting quantum field theories. In this Letter, we investigate, in the simpler context of Gaussian cMERA for free theories, the extent to which the cMERA state |ΨΛ⟩ with finite UV cutoff Λ can capture the spacetime symmetries of the ground state |Ψ ⟩. For a free boson conformal field theory (CFT) in 1 +1 dimensions, as a concrete example, we build a quasilocal unitary transformation V that maps |Ψ ⟩ into |ΨΛ⟩ and show two main results. (i) Any spacetime symmetry of the ground state |Ψ ⟩ is also mapped by V into a spacetime symmetry of the cMERA |ΨΛ⟩. However, while in the CFT, the stress-energy tensor Tμ ν(x ) (in terms of which all the spacetime symmetry generators are expressed) is local, and the corresponding cMERA stress-energy tensor Tμν Λ(x )=V Tμ ν(x )V† is quasilocal. (ii) From the cMERA, we can extract quasilocal scaling operators OαΛ(x ) characterized by the exact same scaling dimensions Δα, conformal spins sα, operator product expansion coefficients Cα β γ, and central charge c as the original CFT. Finally, we argue that these results should also apply to interacting theories.

(3+1)D superspace structural determination of two new modulated composite phases: Sr 1+ x(Cu xMn 1- x)O 3; x=3/11 and x=0.3244

NASA Astrophysics Data System (ADS)

El Abed, Ahmed; Gaudin, Etienne; zur Loye, Hans-Conrad; Darriet, Jacques

2003-01-01

We report the structure determination of two new phases belonging to the A 1+ x(A' xB 1- x)O 3 family of oxides with A=Sr, A'=Cu, and B=Mn, where x=3/11 and x=0.3244, corresponding to a commensurate and incommensurate composite structure, respectively. These two compounds are the first examples of oxides belonging to the Sr 1+ x(Cu xMn 1- x)O 3 family. Their structures were solved in the (3+1) dimensional superspace formalism as modulated composite structures with two subsystems [(Cu,Mn)O 3] and [Sr]. The superspace group used to solve the structures is R 3¯m(00γ)0s . The first phase ( x=3/11), corresponding to the chemical formula Sr 14Cu 3Mn 8O 33, was obtained as a single crystal with unit cell parameters of a=9.6025(3) Å and c1=2.5660(8) Å ( q=7/11 c1∗, Z=3), where c1 is the lattice parameter corresponding to the c-axis of the trigonal subsystem [(Cu,Mn)O 3]. The second phase ( x=0.3244(1)), is a polycrystalline sample with unit cell parameters of a=9.5933(7) and c1=2.5933(3) ( q=0.6622 c1∗, Z=3). In both structures, one dimensional chains run along the c-axis which contain octahedra and trigonal prisms occupied by manganese and copper atoms, respectively. The refinement results show that in both cases copper occupies the rectangular faces of the trigonal prism while manganese occupies the octahedral sites. The magnetic measurements of the polycrystalline phase (Sr 1+ x(Cu xMn 1- x)O 3, x=0.3244(2)) and the Curie constant obtained from the high temperature susceptibility are in agreement with a spin state configuration of S=3/2 for Mn 4+ and S=1/2 for Cu 2+.

Scaling, elasticity, and CLPT

NASA Technical Reports Server (NTRS)

Brunelle, Eugene J.

1994-01-01

The first few viewgraphs describe the general solution properties of linear elasticity theory which are given by the following two statements: (1) for stress B.C. on S(sub sigma) and zero displacement B.C. on S(sub u) the altered displacements u(sub i)(*) and the actual stresses tau(sub ij) are elastically dependent on Poisson's ratio nu alone: thus the actual displacements are given by u(sub i) = mu(exp -1)u(sub i)(*); and (2) for zero stress B.C. on S(sub sigma) and displacement B.C. on S(sub u) the actual displacements u(sub i) and the altered stresses tau(sub ij)(*) are elastically dependent on Poisson's ratio nu alone: thus the actual stresses are given by tau(sub ij) = E tau(sub ij)(*). The remaining viewgraphs describe the minimum parameter formulation of the general classical laminate theory plate problem as follows: The general CLT plate problem is expressed as a 3 x 3 system of differential equations in the displacements u, v, and w. The eighteen (six each) A(sub ij), B(sub ij), and D(sub ij) system coefficients are ply-weighted sums of the transformed reduced stiffnesses (bar-Q(sub ij))(sub k); the (bar-Q(sub ij))(sub k) in turn depend on six reduced stiffnesses (Q(sub ij))(sub k) and the material and geometry properties of the k(sup th) layer. This paper develops a method for redefining the system coefficients, the displacement components (u,v,w), and the position components (x,y) such that a minimum parameter formulation is possible. The pivotal steps in this method are (1) the reduction of (bar-Q(sub ij))(sub k) dependencies to just two constants Q(*) = (Q(12) + 2Q(66))/(Q(11)Q(22))(exp 1/2) and F(*) - (Q(22)/Q(11))(exp 1/2) in terms of ply-independent reference values Q(sub ij); (2) the reduction of the remaining portions of the A, B, and D coefficients to nondimensional ply-weighted sums (with 0 to 1 ranges) that are independent of Q(*) and F(*); and (3) the introduction of simple coordinate stretchings for u, v, w and x,y such that the process is neatly completed.

High-precision laser spectroscopy of the CO A(1)Π - X(1)Σ(+) (2,0), (3,0), and (4,0) bands.

PubMed

Niu, M L; Ramirez, F; Salumbides, E J; Ubachs, W

2015-01-28

High-precision two-photon Doppler-free frequency measurements have been performed on the CO A(1)Π - X(1)Σ(+) fourth-positive system (2,0), (3,0), and (4,0) bands. Absolute frequencies of forty-three transitions, for rotational quantum numbers up to J = 5, have been determined at an accuracy of 1.6 × 10(-3) cm(-1), using advanced techniques of two-color 2  +  1' resonance-enhanced multi-photon ionization, Sagnac interferometry, frequency-chirp analysis on the laser pulses, and correction for AC-Stark shifts. The accurate transition frequencies of the CO A(1)Π - X(1)Σ(+) system are of relevance for comparison with astronomical data in the search for possible drifts of fundamental constants in the early universe. The present accuracies in laboratory wavelengths of Δλ/λ = 2 × 10(-8) may be considered exact for the purpose of such comparisons.

Nanostructured crystals of fluorite phases Sr1 - x R x F2 + x ( R are rare-earth elements) and their ordering: IV. Study of the optical transmission spectra in the 2-17-μm wavelength range

NASA Astrophysics Data System (ADS)

Fedorov, V. A.; Karimov, D. N.; Komar'kova, O. N.; Krivandina, E. A.; Zhmurova, Z. I.; Sobolev, B. P.

2010-01-01

Transmission spectra of two-component crystals of Sr1- x R x F2+ x ( R = Y, La-Lu; 0 ≤ x ≤ 0.5) in the 1-17-μm wavelength range were studied. The spectral characteristics of these crystals and of single-component crystals of MF2 ( M = Ca, Sr, or Ba) and RF3 ( R = La-Nd) were compared. The transmission cutoff of Sr1- x R x F2+ x crystals is shifted to shorter wavelengths with increasing x. The same tendency is observed with the increasing atomic number R of rare-earth elements for two isoconcentration series of Sr1- x R x F2+ x ( x ˜ 0.10 and 0.28). This tendency is pronounced at large x. The transmission cutoff of Sr1- x R x F2+ x crystals can be varied in the range of from 10.7 to 12.2 μm by changing their qualitative ( R) and quantitative ( x) composition. Hence, these crystals can be assigned to multicomponent fluoride optical materials with controlled optical characteristics. The Sr1- x R x F2+ x crystals, where R = Ce-Sm, were shown to be promising materials for the design of selective optical filters in the 2-10-μm spectral range.

Adaptive binding and selection of compressed 1,ω-diammonium-alkanes via molecular encapsulation in water† †Electronic supplementary information (ESI) available. CCDC 1040388–1040390. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c4sc03945a Click here for additional data file. Click here for additional data file.

PubMed Central

Dumitrescu, Dan; Legrand, Yves-Marie; Petit, Eddy; van der Lee, Arie

2015-01-01

Guest molecules confined inside hollow molecular assemblies and thus protected from their environment can show unexpected structural behavior or special reactivity compared to their behavior in a bulk, unprotected environment. A special case is the coiling behavior of variable-length alkane chains in rigid hydrogen-bonded molecular cages. It has been found before that coiling may occur in such circumstances, but no experimental evidence concerning the exact conformation of the chains has yet been presented. We reveal in this study the self-assembly of a molecular cage in water and the crystalline state from three distinct components in which linear 1,ω-diammonium-alkanes chains are confined with different degrees of compression. The exact coiling behavior is determined from atomic resolution X-ray diffraction showing crenel-like conformations in the compressed state. Chemical selection can be obtained from mixtures of alkane chains via the encapsulation of kinetically stable conformations observed during the encapsulation of pure components. Moreover, it was found that uncompressed and compressed chains can be competitively trapped inside the capsule. These findings may provide insight in areas to a better understanding of biological processes, such as the fatty acid metabolism. PMID:29142675

Sintered silicon nitrode recuperator fabrication

NASA Technical Reports Server (NTRS)

Gatti, A.; Chiu, W. S.; Mccreight, L. R.

1980-01-01

The preliminary design and a demonstration of the feasibility of fabricating submodules of an automotive Stirling engine recuperator for waste heat recovery at 370 C are described. Sinterable silicon nitride (Sialon) tubing and plates were fabricated by extrusion and hydrostatic pressing, respectively, suitable for demonstrating a potential method of constructing ceramic recuperator-type heat exchangers. These components were fired in nitrogen atmosphere to 1800 C without significant scale formation so that they can be used in the as-fired condition. A refractory glass composition (Al2O3 x 4.5 CaO.MgO x 11SiO2) was used to join and seal component parts by a brazing technique which formed strong recuperator submodules capable of withstanding repeated thermal cycling to 1370 C. The corrosion resistance of these materials to Na2SO4 + NaCl carbon mixtures was also assessed in atmospheres of air, hydrogen and CO2-N2-H2O mixtures at both 870 C and 1370 C for times to 1000 hours. No significant reaction was observed under any of these test conditions.

Identification of New Signaling Components in the Sensory Epithelium of Human Saccule

PubMed Central

Degerman, Eva; Rauch, Uwe; Göransson, Olga; Lindberg, Sven; Hultgårdh, Anna; Magnusson, Måns

2011-01-01

Objective: To locate components and target proteins of relevance for the cAMP and cGMP signaling networks including cAMP and cGMP phosphodiesterases (PDEs), salt-inducible kinases (SIKs), subunits of Na+, K+-ATPases, and aquaporins (AQPs) in the human saccule. Methods: The human saccule was dissected out during the removal of vestibular schwannoma via the translabyrinthine approach and immediately fixed. Immunohistochemistry was performed using PDE, SIK, Na+, K+-ATPase, and AQP antibodies. Results: PDEs selective for cAMP (PDE4A, PDE4D, and PDE8A) and cGMP (PDE9A) as well a dual specificity PDE (PDE10A) were detected in the sensory epithelium of the saccule. Furthermore, AQP2, 4, and 9, SIK1 and the α-1 subunit of the Na+, K+-ATPase were detected. Conclusion: cAMP and cGMP are important regulators of ion and water homeostasis in the inner ear. The identification of PDEs and SIK1 in the vestibular system offers new treatment targets for endolymphatic hydrops. Exactly how the PDEs are connected to SIK1 and the SIK1 substrate Na+, K+-ATPase and to AQPs 2, 4, 9 remains to be elucidated. The dissection of the signaling networks utilizing these components and evaluating their roles will add new basic knowledge regarding inner ear physiology. PMID:21886636

The Double Galaxy Cluster A2465. III. X-Ray and Weak-lensing Observations

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

Wegner, Gary A.; Umetsu, Keiichi; Molnar, Sandor M.

We report Chandra X-ray observations and optical weak-lensing measurements from Subaru/Suprime-Cam images of the double galaxy cluster A2465 ( z = 0.245). The X-ray brightness data are fit to a β model to obtain the radial gas density profiles of the northeast (NE) and southwest (SW) subcomponents, which are seen to differ in structure. We determine core radii, central temperatures, the gas masses within r {sub 500c}, and the total masses for the broader NE and sharper SW components assuming hydrostatic equilibrium. There is no large X-ray excess between the two components. The central entropy of the NE subcluster ismore » about two times higher than the SW. Along with its structural properties and an apparent radio halo that is a sign of a merger, this suggests that the NE component has undergone merging on its own. The weak-lensing analysis gives virial masses for each substructure, which compare well with earlier dynamical results. The derived outer mass contours of the SW sub-component from weak lensing are more irregular and extended than those of the NE. Although there is a weak enhancement and small offsets between X-ray gas and mass centers from weak lensing, the lack of large amounts of gas between the two subclusters indicates that A2465 is in a pre-merger state. We discuss star formation enhancement in this system resulting from its dynamics and shock-induced star formation scenarios. A dynamical model that is consistent with the observed cluster data, based on the FLASH program and the radial infall model, is constructed, where the subclusters currently separated by ∼1.2 Mpc are approaching each other at ∼2000 km s{sup −1} and will meet in ∼0.4 Gyr.« less

The Double Galaxy Cluster A2465. III. X-Ray and Weak-lensing Observations

NASA Astrophysics Data System (ADS)

Wegner, Gary A.; Umetsu, Keiichi; Molnar, Sandor M.; Nonino, Mario; Medezinski, Elinor; Andrade-Santos, Felipe; Bogdan, Akos; Lovisari, Lorenzo; Forman, William R.; Jones, Christine

2017-07-01

We report Chandra X-ray observations and optical weak-lensing measurements from Subaru/Suprime-Cam images of the double galaxy cluster A2465 (z = 0.245). The X-ray brightness data are fit to a β model to obtain the radial gas density profiles of the northeast (NE) and southwest (SW) subcomponents, which are seen to differ in structure. We determine core radii, central temperatures, the gas masses within r 500c, and the total masses for the broader NE and sharper SW components assuming hydrostatic equilibrium. There is no large X-ray excess between the two components. The central entropy of the NE subcluster is about two times higher than the SW. Along with its structural properties and an apparent radio halo that is a sign of a merger, this suggests that the NE component has undergone merging on its own. The weak-lensing analysis gives virial masses for each substructure, which compare well with earlier dynamical results. The derived outer mass contours of the SW sub-component from weak lensing are more irregular and extended than those of the NE. Although there is a weak enhancement and small offsets between X-ray gas and mass centers from weak lensing, the lack of large amounts of gas between the two subclusters indicates that A2465 is in a pre-merger state. We discuss star formation enhancement in this system resulting from its dynamics and shock-induced star formation scenarios. A dynamical model that is consistent with the observed cluster data, based on the FLASH program and the radial infall model, is constructed, where the subclusters currently separated by ˜1.2 Mpc are approaching each other at ˜2000 km s-1 and will meet in ˜0.4 Gyr. Based in part on data collected at the Subaru Telescope, which is operated by the National Astronomical Society of Japan.

A prospective randomized single blind trial of Fleet phosphate enema versus glycerin suppositories as preparation for flexible sigmoidoscopy.

PubMed

Underwood, D; Makar, R R; Gidwani, A L; Najfi, S M; Neilly, P; Gilliland, R

2010-03-01

This study compared the efficacy and patient acceptability of two methods of bowel preparation for flexible sigmoidoscopy. Patients attending for outpatient flexible sigmoidoscopy were prospectively randomized to receive one Fleet ready-to-use enema or 2 x 4 g glycerin suppositories, 2 h preprocedure. Patient and endoscopist questionnaires were used to compare the outcomes. From November 2000 to August 2001, 203 (male = 95; female = 108) patients were randomized. Patient data available for 163 patients (enema = 93; suppository = 70) revealed: ease of use (enema = 52; suppository = 25; P < 0.02, Fisher's exact); assistance required (enema = 19; suppository = 3; P < 0.005, Fisher's exact); grade of effectiveness (enema = 83; suppository = 44; P < 0.0001, Fisher's exact), and whether patients wished to try another preparation in future (enema = 16; suppository = 24; P = 0.016, Fisher's exact). Endoscopist data available for 151 patients (enema = 76; suppository = 75) revealed: average depth of insertion (enema = 53.6 +/- 11.6 cm; suppository 46.3 +/- 13.7 cm; P < 0.001, Student's t test); acceptable (excellent + good) quality of preparation [enema = 60 (78.9%); suppository = 34 (45.3%); P < 0.0001, Fisher's exact]. Bowel preparation for flexible sigmoidoscopy using a single Fleet enema is acceptable to patients and more effective than glycerin suppositories.

Detection of molecular hydrogen in a near Solar-metallicity damped Lyman-alpha system at zabs ~ 2 toward Q 0551-366 ≈ 2

NASA Astrophysics Data System (ADS)

Ledoux, C.; Srianand, R.; Petitjean, P.

2002-09-01

We report the detection of H2, C I, C I *, C I ** and Cl I lines in a near Solar-metallicity ([Zn/H]=-0.13) damped Lyman-alpha (DLA) system at zabs=1.962 observed on the line of sight to the quasar Q 0551-366. The iron-peak elements, X=Fe, Cr and Mn are depleted compared to zinc, [X/Zn] ~ -0.8, probably because they are tied up onto dust grains. Among the three detected H2-bearing clouds, spanning 55 km s-1 in velocity space, we derive a total molecular hydrogen column density N(H2)=2.6x 1017 cm-2 and a mean molecular fraction f=2N(H2)/(2N(H2)+N(H I))=1.7x 10-3. The depletion of heavy elements (S, Si, Mg, Mn, Cr, Fe, Ni and Ti) in the central component is similar to that observed in the diffuse neutral gas of the Galactic halo. This depletion is approximately the same in the six C I-detected components independently of the presence or absence of H2. The gas clouds in which H2 is detected always have large densities, nH>30 cm-3, and low temperatures, T01<~ 100 K. This shows that presence of dust, high particle density and/or low temperature is required for molecules to be present. The photo-dissociation rate derived in the components where H2 is detected suggests the existence of a local UV radiation field similar in strength to the one in the Galaxy. Star formation therefore probably occurs near these H2-bearing clouds. Based on observations carried out at the European Southern Observatory (ESO) under prog. ID No. 66.A-0624 with the UVES spectrograph installed at the Very Large Telescope (VLT) on Cerro Paranal, Chile.

Carbon and oxygen X-ray line emission from the interstellar medium

NASA Technical Reports Server (NTRS)

Schnopper, H. W.; Delvaille, J. P.; Rocchia, R.; Blondel, C.; Cheron, C.; Christy, J. C.; Ducros, R.; Koch, L.; Rothenflug, R.

1982-01-01

A soft X-ray, 0.3-1.0 keV spectrum from a 1 sr region which includes a portion of the North Polar Spur, obtained by three rocketborne lithium-drifted silicon detectors, shows the C V, C VI, O VII and O VIII emission lines. The spectrum is well fitted by a two-component, modified Kato (1976) model, where the coronal emission is in collisional equilibrium, with interstellar medium and North Polar Spur temperatures of 1.1 and 3.8 million K, respectively.

Formation of vortex line around the glass transition in YBa{sub 2}Cu{sub 3}O{sub 7-{delta}} films

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

Nojima, T.; Kakinuma, A.; Kuwasawa, Y.

1996-12-01

Two components of current-induced electric fields in ab plane, E{sub x} and E{sub y}, have been measured simultaneously on YBCO(123) films around the glass transition temperature T{sub g} in magnetic fields H with components (H{sub 0}, H{sub 0}, 0.1H{sub 0}), where x and y axes are parallel to the direction of the current density and c axis, respectively. In this condition, a finite transverse field E{sub y} almost equal to E{sub x} can be observed if the vortex lines form and move along the Lorentz force. In each H, the ratio {vert_bar}E{sub y}/E{sub x}{vert_bar} at a low current limit, whichmore » is zero far above T{sub g}, increases in the critical region and transfers to unity below T{sub g}. The authors results indicate that the vortices become lines with long range correlation along H direction at the vortex glass transition without receiving the effect of the intrinsic pinning.« less

First principles study of Al and C-doped MgB2: evolution of two gaps and critical temperature

NASA Astrophysics Data System (ADS)

de La Peña-Seaman, Omar; de Coss, Romeo; Heid, Rolf; Bohnen, Klaus-Peter

2008-03-01

We have studied the electron-phonon and superconducting properties of the Mg1-xAlxB2 and MgB2(1-x)C2x alloys within the framework of density functional perturbation theory, using a mixed-basis pseudopotential method and the virtual crystal approximation (VCA) for modeling the alloys. For both systems, the Eliashberg spectral function (2̂F(φ)) and the electron-phonon coupling parameter (λ) have been calculated in the two band model (σ,π) for several concentrations until x(Al)=0.55 and x(C)=0.175. Using the calculated 2̂ijF(φ) and a diagonal expression for the Coulomb pseudopotential matrix, &*circ;, we solved numerically the Eliashberg gap equations in the two band model without interband scattering. We reproduce the experimental decreasing behavior of δσ(x), δπ(x), and Tc(x) for both alloy systems. The role of the interband scattering in the observed behavior of the superconducting gaps and Tc in the Al- and C-MgB2 alloys is discussed. This research was supported by Consejo Nacional de Ciencia y Tecnolog'ia (Conacyt) under Grant No. 43830-F.

Filaggrin haploinsufficiency is highly penetrant and is associated with increased severity of eczema: further delineation of the skin phenotype in a prospective epidemiological study of 792 school children

PubMed Central

Brown, SJ; Relton, CL; Liao, H; Zhao, Y; Sandilands, A; McLean, WHI; Cordell, HJ; Reynolds, NJ

2009-01-01

Background Null mutations within the filaggrin gene (FLG) cause ichthyosis vulgaris and are associated with atopic eczema. However, the dermatological features of filaggrin haploinsufficiency have not been clearly defined. Objectives This study investigated the genotype–phenotype association between detailed skin phenotype and FLG genotype data in a population-based cohort of children. Methods Children (n= 792) aged 7–9 years were examined by a dermatologist. Features of ichthyosis vulgaris, atopic eczema and xerosis were recorded and eczema severity graded using the Three Item Severity score. Each child was genotyped for the six most prevalent FLG null mutations (R501X, 2282del4, R2447X, S3247X, 3702delG, 3673delC). Fisher’s exact test was used to compare genotype frequencies in phenotype groups; logistic regression analysis was used to estimate odds ratios and penetrance of the FLG null genotype and a permutation test performed to investigate eczema severity in different genotype groups. Results Ten children in this cohort had ichthyosis vulgaris, of whom five had mild–moderate eczema. The penetrance of FLG null mutations with respect to flexural eczema was 55·6% in individuals with two mutations, 16·3% in individuals with one mutation and 14·2% in wild-type individuals. Summating skin features known to be associated with FLG null mutations (ichthyosis, keratosis pilaris, palmar hyperlinearity and flexural eczema) showed a penetrance of 100% in children with two FLG mutations, 87·8% in children with one FLG mutation and 46·5% in wild-type individuals (P< 0·0001, Fisher exact test). FLG null mutations were associated with more severe eczema (P= 0·0042) but the mean difference was only 1–2 points in severity score. Three distinct patterns of palmar hyperlinearity were observed and these are reported for the first time. Conclusions Filaggrin haploinsufficiency appears to be highly penetrant when all relevant skin features are included in the analysis. FLG null mutations are associated with more severe eczema, but the effect size is small in a population setting. PMID:19681860

Search for resonances decaying to etac pi pi- in two-photon interactions

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

Lees, J.P.; Poireau, V.; Tisserand, V.

2012-06-18

We report a study of the process {gamma}{gamma} {yields} X {yields} {eta}{sub c}{pi}{sup +}{pi}{sup -}, where X stands for one of the resonances {chi}{sub c2}(1P), {eta}{sub c}(2S), X(3872), X(3915), or {chi}{sub c2}(2P). The analysis is performed with a data sample of 473.9 fb{sup -1} collected with the BABAR detector at the PEP-II asymmetric-energy electron-positron collider. We do not observe a significant signal for any channel, and calculate 90% confidence-level upper limits on the products of branching fractions and two-photon widths {Lambda}{sub X{yields}{gamma}{gamma}} {Beta}(X {yields} {eta}{sub c}{pi}{sup +}{pi}{sup -}): 15.7 eV for {chi}{sub c2}(1P), 133 eV for {eta}{sub c}(2S), 11.1 eVmore » for X(3872) (assuming it to be a spin-2 state), 16 eV for X(3915) (assuming it to be a spin-2 state), and 19 eV for {chi}{sub c2}(2P). We also report upper limits on the ratios of branching fractions {Beta}({eta}{sub c}(2S) {yields} {eta}{sub c}{pi}{sup +}{pi}{sup -})/{Beta}({eta}{sub c}(2S) {yields} K{sub S}{sup 0}K{sup +}{pi}{sup -}) < 10.0 and {Beta}({chi}{sub c2}(1P) {yields} {eta}{sub c}{pi}{sup +}{pi}{sup -})/{Beta}({chi}{sub c2}(1P) {yields} K{sub S}{sup 0}K{sup +}{pi}{sup -}) < 32.9 at the 90% confidence level.« less

Random pure states: Quantifying bipartite entanglement beyond the linear statistics.

PubMed

Vivo, Pierpaolo; Pato, Mauricio P; Oshanin, Gleb

2016-05-01

We analyze the properties of entangled random pure states of a quantum system partitioned into two smaller subsystems of dimensions N and M. Framing the problem in terms of random matrices with a fixed-trace constraint, we establish, for arbitrary N≤M, a general relation between the n-point densities and the cross moments of the eigenvalues of the reduced density matrix, i.e., the so-called Schmidt eigenvalues, and the analogous functionals of the eigenvalues of the Wishart-Laguerre ensemble of the random matrix theory. This allows us to derive explicit expressions for two-level densities, and also an exact expression for the variance of von Neumann entropy at finite N,M. Then, we focus on the moments E{K^{a}} of the Schmidt number K, the reciprocal of the purity. This is a random variable supported on [1,N], which quantifies the number of degrees of freedom effectively contributing to the entanglement. We derive a wealth of analytical results for E{K^{a}} for N=2 and 3 and arbitrary M, and also for square N=M systems by spotting for the latter a connection with the probability P(x_{min}^{GUE}≥sqrt[2N]ξ) that the smallest eigenvalue x_{min}^{GUE} of an N×N matrix belonging to the Gaussian unitary ensemble is larger than sqrt[2N]ξ. As a by-product, we present an exact asymptotic expansion for P(x_{min}^{GUE}≥sqrt[2N]ξ) for finite N as ξ→∞. Our results are corroborated by numerical simulations whenever possible, with excellent agreement.

Measuring 13 C-enriched CO2 in air with a cavity ring-down spectroscopy gas analyser: Evaluation and calibration.

PubMed

Dickinson, Dane; Bodé, Samuel; Boeckx, Pascal

2017-11-30

Cavity ring-down spectroscopy (CRDS) is becoming increasingly popular for δ 13 C-CO 2 analysis of air. However, little is known about the effect of high 13 C abundances on the performance of CRDS. Overlap between 12 CO 2 and 13 CO 2 spectral lines may adversely affect isotopic-CO 2 CRDS measurements of 13 C-enriched samples. Resolving this issue is important so that CRDS analysers can be used in CO 2 flux studies involving 13 C-labelled tracers. We tested a Picarro G2131-i CRDS isotopic-CO 2 gas analyser with specialty gravimetric standards of widely varying 13 C abundance (from natural to 20.1 atom%) and CO 2 mole fraction (xCO 2 : <0.1 to 2116 ppm) in synthetic air. The presence of spectroscopic interference between 12 CO 2 and 13 CO 2 bands was assessed by analysing errors in measurements of the standards. A multi-component calibration strategy was adopted, incorporating isotope ratio and mole fraction data to ensure accuracy and consistency in corrected values of δ 13 C-CO 2 , x 12 CO 2 , and x 13 CO 2 . CRDS measurements of x 13 CO 2 were found to be accurate throughout the tested range (<0.005 to 100 ppm). On the other hand, spectral cross-talk in x 12 CO 2 measurements of standards containing elevated levels of 13 CO 2 led to inaccuracy in x 12 CO 2 , total-xCO 2 (x 12 CO 2  + x 13 CO 2 ), and δ 13 C-CO 2 data. An empirical relationship for x 12 CO 2 measurements that incorporated the 13 C/ 12 C isotope ratio (i.e. 13 CO 2 / 12 CO 2 , RCO2) as a secondary (non-linear) variable was found to compensate for the perturbations, and enabled accurate instrument calibration for all CO 2 compositions covered by our standard gases. 13 C-enrichement in CO 2 leads to minor errors in CRDS measurements of x 12 CO 2 . We propose an empirical correction for measurements of 13 C-enriched CO 2 in air by CRDS instruments such as the Picarro G2131-i. Copyright © 2017 John Wiley & Sons, Ltd.

Threshold singularities in a Fermi gas with attractive potential in one dimension

DOE PAGES

Schlottmann, P.; Zvyagin, A. A.

2015-01-15

We consider the one-dimensional gas of fermions with spin S interacting via an attractive δ-function potential using the Bethe Ansatz solution. In zero magnetic field the atoms form bound states of N=2S + 1 fermions, i.e. generalized Cooper states with each atom having a different spin component. For low energy excitations the system is a Luttinger liquid and is properly described by a conformal field theory with conformal charge c=1. The linear dispersion of a Luttinger liquid is asymptotically exact in the low-energy limit where the band curvature terms in the dispersion are irrelevant. For higher energy excitations, however, themore » spectral function displays deviations in the neighborhood of the single-particle (hole) energy, which can be described by an effective X-ray edge type model. Using the Bethe Ansatz solution we obtain expressions for the critical exponents for the single-particle (hole) Green’s function. This model can be relevant in the context of ultracold atoms with effective total spin S confined to an elongated optical trap.« less

Blue-light reception in Phycomyces phototropism: evidence for two photosystems operating in low- and high-intensity ranges

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

Galland, P.; Lipson, E.D.

1987-01-01

Phototropism in the fungus Phycomyces is mediated by two photosystems that are optimized for the low-intensity region (below 10(-6) W X m-2) and the high-intensity region (above 10(-6) W X m-2). These photosystems can be distinguished under special experimental conditions, in which sporangiophores grown in the dark are suddenly exposed to continuous unilateral light. With this treatment, the bending occurs in two steps. Below 10(-6) W X m-2, an early-response component (15-min latency) and a late-response component (50- to 70-min latency) are observed that are mediated by photosystem I. Above 10(-6) W X m-2, the early component is augmented bymore » an intermediate component with a 40-min delay that is mediated by photosystem II. The two photosystems are distinguished further by their wavelength sensitivities and adaptation kinetics. Photosystem I is more effective at 334, 347, and 550 nm than photosystem II, but it is less effective at 383 nm. At wavelength 450 nm, the dark-adaptation kinetics associated with photosystem I are approximately half as fast as those associated with photosystem II. However, the light-adaptation kinetics of photosystem I are approximately equal to 3 times faster than the kinetics associated with photosystem II. The existence of two photosystems clarifies several behavioral features of Phycomyces and helps explain how the sporangiophore can manage the full range of 10 decades.« less

Structural basis for NKG2A/CD94 recognition of HLA-E

PubMed Central

Kaiser, Brett K.; Pizarro, Juan Carlos; Kerns, Julie; Strong, Roland K.

2008-01-01

The NKG2x/CD94 (x = A, C, E) natural killer-cell receptors perform an important role in immunosurveillance by binding to HLA-E complexes that exclusively present peptides derived from MHC class I leader sequences, thereby monitoring MHC class I expression. We have determined the crystal structure of the NKG2A/CD94/HLA-E complex at 4.4-Å resolution, revealing two critical aspects of this interaction. First, the C-terminal region of the peptide, which displays the most variability among class I leader sequences, interacts entirely with CD94, the invariant component of these receptors. Second, residues 167–170 of NKG2A/C account for the ≈6-fold-higher affinity of the inhibitory NKG2A/CD94 receptor compared to its activating NKG2C/CD94 counterpart. These residues do not contact HLA-E or peptide directly but instead form part of the heterodimer interface with CD94. An evolutionary analysis across primates reveals that whereas CD94 is evolving under purifying selection, both NKG2A and NKG2C are evolving under positive selection. Specifically, residues at the CD94 interface have evolved under positive selection, suggesting that the evolution of these genes is driven by an interaction with pathogen-derived ligands. Consistent with this possibility, we show that NKG2C/CD94, but not NKG2A/CD94, weakly but specifically binds to the CMV MHC-homologue UL18. Thus, the evolution of the NKG2x/CD94 family of receptors has likely been shaped both by the need to bind the invariant HLA-E ligand and the need to avoid subversion by pathogen-derived decoys. PMID:18448674

Exactly solvable field theories of closed strings

NASA Astrophysics Data System (ADS)

Brézin, E.; Kazakov, V. A.

1990-02-01

Field theories of closed strings are shown to be exactly solvable for a central charge of matter fields c=1-6/m(m+1),m=1,2, 3, .... The two-point function χ(λ,N), in which λ is the cosmological constant and N-1 is the string coupling constant, obeys a scaling law χ(λ,N=N-(m+1/2)C((λc-λ)Nm/(m+1/2)) in the limit in which N-1 goes to zero and λ goes to a critical value λc we have determined the universal non-linear differential equation satisfied by the function C. From this equation it is found that a phase transition takes place for some finite value of the scaling parameter (λc-λ)Nm/(m+1/2); this transition is a ``condensation of handles'' on the world sheet, characterized by a divergence of the averaged genus of the world sheets. The cases m=2,3 are elaborated in more details, and the case m=1, which corresponds to the embedding of a bosonic string in -2 dimensions, is reduced to explicit quadratures. Permanent address: Cybernetics Council and Academy of Sciences, ul. Vavilova 40, SU-117 333 Moscow, USSR.

Nucleon Spin Structure and Constituent Quark Model

NASA Astrophysics Data System (ADS)

Wang, Fan; Qing, Di; Chen, Xiang-Song; Goldman, T.

1998-10-01

The success of the constituent quark model has been challenged by the nucleon spin structure discovered in polarized deep inelastic scattering (DIS). We find that this puzzle is due to misidentifying the axial charge Δ q and the nonrelativistic quark spin. The space component of the quark axial vector current operator, int d^3x\\overlineψ γγ_5ψ =2s_q, defines the quark spin operator s_q, including not only the Pauli spin operator, which corresponds to the nonrelativistic quark spin s_q^NR, but also relativistic and quark-antiquark pair creation (annihilation) correction terms. Both of these suppress the quark spin contribution for a nucleon at rest due to transverse motion of the quark. The relativistic quark orbital angular momentum operator L_q=int d^3x\\overlineψ x× fracpartial iψ includes L^NRq and two correction terms which are exactly the same as those of sq but of opposite sign. They provide compensation which keeps the total nucleon spin frac 12 untouched no matter what kind of quark model is used. Nucleon spin can be decomposed either as s_q+Lq or as s_q^NR+L_q^NR. (The gluon degree of freedom is assumed to be frozen in the nucleon ground state at low energy scales.) The tensor charge δ q=int d^3x\\overlineψ Σ ψ of the nucleon is predicted to have similar but smaller corrections.

Impacts of fragmented accretion streams onto classical T Tauri stars: UV and X-ray emission lines

NASA Astrophysics Data System (ADS)

Colombo, S.; Orlando, S.; Peres, G.; Argiroffi, C.; Reale, F.

2016-10-01

Context. The accretion process in classical T Tauri stars (CTTSs) can be studied through the analysis of some UV and X-ray emission lines which trace hot gas flows and act as diagnostics of the post-shock downfalling plasma. In the UV-band, where higher spectral resolution is available, these lines are characterized by rather complex profiles whose origin is still not clear. Aims: We investigate the origin of UV and X-ray emission at impact regions of density structured (fragmented) accretion streams. We study if and how the stream fragmentation and the resulting structure of the post-shock region determine the observed profiles of UV and X-ray emission lines. Methods: We modeled the impact of an accretion stream consisting of a series of dense blobs onto the chromosphere of a CTTS through two-dimensional (2D) magnetohydrodynamic (MHD) simulations. We explored different levels of stream fragmentation and accretion rates. From the model results, we synthesize C IV (1550 Å) and O VIII (18.97 Å) line profiles. Results: The impacts of accreting blobs onto the stellar chromosphere produce reverse shocks propagating through the blobs and shocked upflows. These upflows, in turn, hit and shock the subsequent downfalling fragments. As a result, several plasma components differing for the downfalling velocity, density, and temperature are present altoghether. The profiles of C IV doublet are characterized by two main components: one narrow and redshifted to speed ≈ 50 km s-1 and the other broader and consisting of subcomponents with redshift to speed in the range 200-400 km s-1. The profiles of O VIII lines appear more symmetric than C IV and are redshifted to speed ≈ 150 km s-1. Conclusions: Our model predicts profiles of C IV line remarkably similar to those observed and explains their origin in a natural way as due to stream fragmentation. Movies are available at http://www.aanda.org

The Properties and the Evolution of the Highly Ionized Gas in MR 2251-178

NASA Technical Reports Server (NTRS)

Kaspi, Shai; Netzer, hagai; Chelouche, Doron; George, Ian M.; Nandra, Kirpal; Turner, T. J.

2004-01-01

We present the first XMM-Newton observations of the radio-quiet quasar MR 2251-178 obtained in 2000 and 2002. The EPIC-pn spectra show a power-law continuum with a slope of Gamma = 1.6 at high energies absorbed by at least two warm absorbers (WAs) intrinsic to the source. The underlying continuum in the earlier observation shows a soft excess at low X-ray energies which can be modeled as an additional power-law with Gamma = 2.9. The spectra also show a weak narrow iron K alpha emission line. The high-resolution grating spectrum obtained in 2002 shows emission lines from N VI, O VII, O VIII, Ne IX, and Ne X, as well as absorption lines from the low-ionization ions of O III, O IV, and O V, and other confirmed and suspected weaker absorption lines. The O III - O V lines are consistent with the properties of the emission line gas observed as extended optical (O III) emission in this source. The signal-to-noise of the 2000 grating data is too low to detect any lines. We suggest a model for the high-resolution spectrum which consist of two or three warm-absorber (WA) components. The two-components model has a high-ionization WA with a column density of 10(exp 21.5)-10 (exp 21.8) sq cm and a low-ionization absorber with a column density of 10(exp 20.3) sq cm. In the three-components model we add a lower ionization component that produces the observed iron M-shell absorption lines. We investigate the spectral variations in MR 2251-178 over a period of 8.5 years using data from ASCA, BeppoSAX, and XMM-Newton. All X-ray observations can be fitted with the above two power laws and the two absorbers. The observed luminosity variations seems to correlate with variations in the soft X-ray continuum. The 8.5 year history of the source suggests a changing X-ray absorber due to material that enters and disappears from the line-of-sight on timescales of several months. We also present, for the first time, the entire FUSE spectrum of MR 2251-178. We detect emission from N III, C III, and O VI and at least 4 absorption systems in C III, H I, and O VI, one at -580 km/s and at least 3 others which are blended together and form a wide trough covering the velocity range of 0 to -500 km/s. The general characteristics of the UV and X-ray absorbers are consistent with an origin in the same gas.

The D/H Ratio in Interstellar Gas towards G191-B2B from STIS Echelle Observations

NASA Astrophysics Data System (ADS)

Sahu, M. S.; Landsman, W. B.; Bruhweiler, F. C.; Gull, T. R.; Bowers, C. A.; Lindler, D.; Feggans, K.; Barstow, M. A.; Hubeny, I.; Holberg, J. B.

1999-05-01

We present STIS echelle observations of interstellar D i and H i Lyα and N i (1199.5, 1200.2 and 1200.7 Angstroms), C ii 1334.5 Angstroms, C(*) ii 1335.7 Angstroms, O i 1302 Angstroms, Si ii (1190, 1193, 1260, 1304 and 1526 Angstroms), Si iii 1206.5 Angstroms, Al ii 1670.8 Angstroms, S ii 1259.5 Angstroms and Fe ii 1608.5 Angstroms in the line of sight to the nearby (69 pc) hot, white dwarf (WD) G191-B2B. Compared to the GHRS study of G191-B2B by Vidal-Madjar et al. 1998 (VM98), the STIS E140H spectra have a higher velocity resolution (3 km s(-1) ), better S/N (between 20 to 50) and broader wavelength coverage (1150 to 1700 Angstroms). We use the Barstow & Hubeny stratified non-LTE model atmosphere calculations which include the effects of line-blanketing from more than 9x10(6) atomic transitions (mainly Ni and Fe), both to determine the NLTE shape of the stellar Lyalpha profile and to estimate the contamination of the interstellar lines by WD photospheric lines. The interstellar N i 1200.7 Angstroms, Si ii 1193 & 1304 Angstroms and Fe ii lines show no contamination by WD photospheric lines and are given more weight in our analysis. VM98 reported three components while we detect only two velocity components in all the interstellar species observed: one at ~ 8.5 km s(-1) and one at ~ 19.3 km s(-1) which we identify as the LIC component. Using the NLTE stellar Lyα profile and a total column density of N(H i) ~ 2 x 10(18) cm(-2) for both components (consistent with EUVE observations), we derive confidence contours. We find the D/H ratio with 2sigma confidence limits to lie within 1.77+/-0.2x10(-5) . This value is consistent with the value of (D/H)LIC = 1.6+/-0.1x10(-5) determined towards Capella (Linsky et al. 1995). The STIS data provide no evidence for local or cloud-to-cloud variation in the D/H ratio as suggested by VM98. Re-analysis of the GHRS data and comparison to the STIS data is in progress.

The NtrY-NtrX two-component system is involved in controlling nitrate assimilation in Herbaspirillum seropedicae strain SmR1.

PubMed

Bonato, Paloma; Alves, Lysangela R; Osaki, Juliana H; Rigo, Liu U; Pedrosa, Fabio O; Souza, Emanuel M; Zhang, Nan; Schumacher, Jörg; Buck, Martin; Wassem, Roseli; Chubatsu, Leda S

2016-11-01

Herbaspirillum seropedicae is a diazotrophic β-Proteobacterium found endophytically associated with gramineae (Poaceae or graminaceous plants) such as rice, sorghum and sugar cane. In this work we show that nitrate-dependent growth in this organism is regulated by the master nitrogen regulatory two-component system NtrB-NtrC, and by NtrY-NtrX, which functions to specifically regulate nitrate metabolism. NtrY is a histidine kinase sensor protein predicted to be associated with the membrane and NtrX is the response regulator partner. The ntrYntrX genes are widely distributed in Proteobacteria. In α-Proteobacteria they are frequently located downstream from ntrBC, whereas in β-Proteobacteria these genes are located downstream from genes encoding an RNA methyltransferase and a proline-rich protein with unknown function. The NtrX protein of α-Proteobacteria has an AAA+ domain, absent in those from β-Proteobacteria. An ntrY mutant of H. seropedicae showed the wild-type nitrogen fixation phenotype, but the nitrate-dependent growth was abolished. Gene fusion assays indicated that NtrY is involved in the expression of genes coding for the assimilatory nitrate reductase as well as the nitrate-responsive two-component system NarX-NarL (narK and narX promoters, respectively). The purified NtrX protein was capable of binding the narK and narX promoters, and the binding site at the narX promoter for the NtrX protein was determined by DNA footprinting. In silico analyses revealed similar sequences in other promoter regions of H. seropedicae that are related to nitrate assimilation, supporting the role of the NtrY-NtrX system in regulating nitrate metabolism in H. seropedicae. © 2016 Federation of European Biochemical Societies.

The Spectacular Radio-Near-IR-X-Ray Jet of 3C 111: the X-Ray Emission Mechanism and Jet Kinematics

NASA Technical Reports Server (NTRS)

Clautice, Devon; Perlman, Eric S.; Georganopoulos, Markos; Lister, Matthew L.; Tombesi, Francesco; Cara, Mihai; Marshall, Herman L.; Hogan, Brandon M.; Kazanas, Demos

2016-01-01

Relativistic jets are the most energetic manifestation of the active galactic nucleus (AGN) phenomenon. AGN jets are observed from the radio through gamma-rays and carry copious amounts of matter and energy from the subparsec central regions out to the kiloparsec and often megaparsec scale galaxy and cluster environs. While most spatially resolved jets are seen in the radio, an increasing number have been discovered to emit in the optical/near- IR and/or X-ray bands. Here we discuss a spectacular example of this class, the 3C 111 jet, housed in one of the nearest, double-lobed FR II radio galaxies known. We discuss new, deep Chandra and Hubble Space Telescope (HST) observations that reveal both near-IR and X-ray emission from several components of the 3C 111 jet, as well as both the northern and southern hotspots. Important differences are seen between the morphologies in the radio, X-ray, and near-IR bands. The long (over 100 kpc on each side), straight nature of this jet makes it an excellent prototype for future, deep observations, as it is one of the longest such features seen in the radio, near-IR/optical, and X-ray bands. Several independent lines of evidence, including the X-ray and broadband spectral shape as well as the implied velocity of the approaching hotspot, lead us to strongly disfavor the EC/CMB model and instead favor a two-component synchrotron model to explain the observed X-ray emission for several jet components. Future observations with NuSTAR, HST, and Chandra will allow us to further constrain the emission mechanisms.

THE SPECTACULAR RADIO-NEAR-IR-X-RAY JET OF 3C 111: THE X-RAY EMISSION MECHANISM AND JET KINEMATICS

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

Clautice, Devon; Perlman, Eric S.; Georganopoulos, Markos

2016-08-01

Relativistic jets are the most energetic manifestation of the active galactic nucleus (AGN) phenomenon. AGN jets are observed from the radio through gamma-rays and carry copious amounts of matter and energy from the sub-parsec central regions out to the kiloparsec and often megaparsec scale galaxy and cluster environs. While most spatially resolved jets are seen in the radio, an increasing number have been discovered to emit in the optical/near-IR and/or X-ray bands. Here we discuss a spectacular example of this class, the 3C 111 jet, housed in one of the nearest, double-lobed FR II radio galaxies known. We discuss new,more » deep Chandra and Hubble Space Telescope ( HST ) observations that reveal both near-IR and X-ray emission from several components of the 3C 111 jet, as well as both the northern and southern hotspots. Important differences are seen between the morphologies in the radio, X-ray, and near-IR bands. The long (over 100 kpc on each side), straight nature of this jet makes it an excellent prototype for future, deep observations, as it is one of the longest such features seen in the radio, near-IR/optical, and X-ray bands. Several independent lines of evidence, including the X-ray and broadband spectral shape as well as the implied velocity of the approaching hotspot, lead us to strongly disfavor the EC/CMB model and instead favor a two-component synchrotron model to explain the observed X-ray emission for several jet components. Future observations with NuSTAR , HST , and Chandra will allow us to further constrain the emission mechanisms.« less

PEGylated (NH4)xWO3 nanorods as efficient and stable multifunctional nanoagents for simultaneous CT imaging and photothermal therapy of tumor.

PubMed

Macharia, Daniel K; Tian, Qiyun; Chen, Liang; Sun, Yingqi; Yu, Nuo; He, Chuanglong; Wang, Han; Chen, Zhigang

2017-09-01

The simultaneous imaging and photothermal therapy of tumors have attracted much attention, and a prerequisite is to obtain multifunctional nanomaterials. Ideally, one kind of nanoparticles with single component can be used as both imaging agent and photothermal agent. Herein, we have developed the PEGylated (NH 4 ) x WO 3 (denoted as (NH 4 ) x WO 3 -PEG) nanorods as multifunctional nanoparticles with single semiconductor component. (NH 4 ) x WO 3 -PEG nanorods with about 30nm diameter and length of several hundred nanometers have been obtained through a solvothermal synthesis-PEGylation two-step route. Under the irradiation of 980-nm laser with intensity of 0.72Wcm -2 , aqueous dispersion of (NH 4 ) x WO 3 -PEG nanorods (0.67-5.44mmol/L) displays high elevation (17.6-34.5°C) of temperature in 400s, accompanied by an excellent long-term photothermal stability. Furthermore, (NH 4 ) x WO 3 -PEG nanorods exhibit as high as 6 times X-ray attenuation ability compared to that of the clinically used iodine-based X-ray computed tomography (CT) contrast agent (Iopromide). More importantly, after PBS solution of (NH 4 ) x WO 3 -PEG nanorods is injected into the tumor of mice, the tumor can be effectively detected by CT imaging. Moreover, cancer cells in vivo can be further destroyed by the photothermal effects of (NH 4 ) x WO 3 -PEG nanorods, under the irradiation of 980-nm laser with the safe intensity of 0.72Wcm -2 for 10min. Therefore, (NH 4 ) x WO 3 -PEG nanorods can be used as a new kind of stable and efficient multifunctional nanoagent with single component for simultaneous CT imaging and photothermal therapy of tumor. Copyright © 2017. Published by Elsevier B.V.

Economical Fabrication of Thick-Section Ceramic Matrix Composites

NASA Technical Reports Server (NTRS)

Babcock, Jason; Ramachandran, Gautham; Williams, Brian; Benander, Robert

2010-01-01

A method was developed for producing thick-section [>2 in. (approx.5 cm)], continuous fiber-reinforced ceramic matrix composites (CMCs). Ultramet-modified fiber interface coating and melt infiltration processing, developed previously for thin-section components, were used for the fabrication of CMCs that were an order of magnitude greater in thickness [up to 2.5 in. (approx.6.4 cm)]. Melt processing first involves infiltration of a fiber preform with the desired interface coating, and then with carbon to partially densify the preform. A molten refractory metal is then infiltrated and reacts with the excess carbon to form the carbide matrix without damaging the fiber reinforcement. Infiltration occurs from the inside out as the molten metal fills virtually all the available void space. Densification to <5 vol% porosity is a one-step process requiring no intermediate machining steps. The melt infiltration method requires no external pressure. This prevents over-infiltration of the outer surface plies, which can lead to excessive residual porosity in the center of the part. However, processing of thick-section components required modification of the conventional process conditions, and the means by which the large amount of molten metal is introduced into the fiber preform. Modification of the low-temperature, ultraviolet-enhanced chemical vapor deposition process used to apply interface coatings to the fiber preform was also required to accommodate the high preform thickness. The thick-section CMC processing developed in this work proved to be invaluable for component development, fabrication, and testing in two complementary efforts. In a project for the Army, involving SiC/SiC blisk development, nominally 0.8 in. thick x 8 in. diameter (approx. 2 cm thick x 20 cm diameter) components were successfully infiltrated. Blisk hubs were machined using diamond-embedded cutting tools and successfully spin-tested. Good ply uniformity and extremely low residual porosity (<2 percent) were achieved, the latter being far lower than that achieved with SiC matrix composites fabricated via CVI or PIP. The pyrolytic carbon/zirconium nitride interface coating optimized in this work for use on carbon fibers was incorporated in the SiC/SiC composites and yielded a >41 ksi (approx. 283 MPa) flexural strength.

The series of carbon-chain complexes {Ru(dppe)Cp*}₂{μ-(C≡C )x} (x = 4–8, 11): Synthesis, structures, properties and some reactions

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

Bruce, Michael I.; Cole, Marcus L.; Ellis, Benjamin G.

The construction of a series of compounds {Ru(dppe)Cp*} 2(μ-C 2x) (Ru*-C2x-Ru*, x = 4–8, 11)) is described. A direct reaction between RuCl(dppe)Cp* and Me 3Si(Ctriple bond; length of mdashC) 4SiMe 3 afforded Ru*-C8-Ru* in 89% yield. The Pd(0)/Cu(I)-catalysed coupling of Ru{Ctriple bond; length of mdashCCtriple bond; length of mdashCAu(PPh 3)}(dppe)Cp*Ru*-C4-Au (2 equiv.) with diiodoethyne gave Ru*-C10-Ru* (64%), or of 1 equiv. with I(Ctriple bond; length of mdashC) 3I gave Ru*-C14-Ru* (36%); similarly, Ru{(Ctriple bond; length of mdashC) 4Au(PPh 3)}(dppe)Cp*Ru*-C8-Au and I(Ctriple bond; length of mdashC) 3I gave Ru*-C22-Ru* (12%). Desilylation (TBAF) of Ru{(Ctriple bond; length of mdashC)xSiMe 3}(dppe)Cp*Ru*-C2x-Si (x =more » 3, 4) followed by oxidative coupling [Cu(OAc) 2/py] gave Ru*-C12-Ru* (82%) and Ru*-C16-Ru* (58%), respectively. Similar oxidative coupling of Ru(Ctriple bond; length of mdashCCtriple bond; length of mdashCH)(dppe)Cp* was a second route to Ru*-C8-Ru* (82%). Appropriate precursors are already known, or obtained by coupling of Ru*-C2x-Si (x = 2, 4) with AuCl(PPh 3)/NaOMe [Ru*-C4-Au, 95%; Ru*-C8-Au, 74%] or from Pd(0)/Cu(I) catalysed coupling of Ru*-C2x-Au (x = 2, 3) with I(Ctriple bond; length of mdashC) 2SiMe 3 (Ru*-C8-Si, 64%; Ru*-C10-Si, 2%). Reactions between Ru*-C2x-Ru* (x = 3, 4) and Fe 2(CO) 9 gave {Fe 3(CO) 9}{μ 3-CCtriple bond; length of mdashC[Ru(dppe)Cp*]} 2Fe(C 3-Ru*) 2 and {Fe 3(CO) 9}{μ 3-CCtriple bond; length of mdashC[Ru(dppe)Cp*]}{μ 3-C(Ctriple bond; length of mdashC) 2[Ru(dppe)Cp*]} Fe(C 3-Ru*)(C 5-Ru*), respectively. The redox properties of the series of complexes with 2x = 2–16 were measured and showed a diminution of the separation of the first two oxidation potentials, ΔE = E 2 - E 1, with increasing carbon chain length. The X-ray-determined molecular structures of Ru*-C8-Si, Ru*-C8-Ru*, Ru*-C14-Ru* (two C 6H 6 solvates), {Ru(PPh 3) 2Cp} 2{μ-(Ctriple bond; length of mdashC) 4}·4CHCl 3Ru-C 8-Ru·4CHCl 3 and of Fe(C 3-Ru*) 2 and Fe(C 3-Ru*)(C 5-Ru*) are reported.« less

Radiation dose and magnification in pelvic X-ray: EOS™ imaging system versus plain radiographs.

PubMed

Chiron, P; Demoulin, L; Wytrykowski, K; Cavaignac, E; Reina, N; Murgier, J

2017-12-01

In plain pelvic X-ray, magnification makes measurement unreliable. The EOS™ (EOS Imaging, Paris France) imaging system is reputed to reproduce patient anatomy exactly, with a lower radiation dose. This, however, has not been assessed according to patient weight, although both magnification and irradiation are known to vary with weight. We therefore conducted a prospective comparative study, to compare: (1) image magnification and (2) radiation dose between the EOS imaging system and plain X-ray. The EOS imaging system reproduces patient anatomy exactly, regardless of weight, unlike plain X-ray. A single-center comparative study of plain pelvic X-ray and 2D EOS radiography was performed in 183 patients: 186 arthroplasties; 104 male, 81 female; mean age 61.3±13.7years (range, 24-87years). Magnification and radiation dose (dose-area product [DAP]) were compared between the two systems in 186 hips in patients with a mean body-mass index (BMI) of 27.1±5.3kg/m 2 (range, 17.6-42.3kg/m 2 ), including 7 with morbid obesity. Mean magnification was zero using the EOS system, regardless of patient weight, compared to 1.15±0.05 (range, 1-1.32) on plain X-ray (P<10 -5 ). In patients with BMI<25, mean magnification on plain X-ray was 1.15±0.05 (range, 1-1.25) and, in patients with morbid obesity, 1.22±0.06 (range, 1.18-1.32). The mean radiation dose was 8.19±2.63dGy/cm 2 (range, 1.77-14.24) with the EOS system, versus 19.38±12.37dGy/cm 2 (range, 4.77-81.75) with plain X-ray (P<10 -4 ). For BMI >40, mean radiation dose was 9.36±2.57dGy/cm 2 (range, 7.4-14.2) with the EOS system, versus 44.76±22.21 (range, 25.2-81.7) with plain X-ray. Radiation dose increased by 0.20dGy with each extra BMI point for the EOS system, versus 0.74dGy for plain X-ray. Magnification did not vary with patient weight using the EOS system, unlike plain X-ray, and radiation dose was 2.5-fold lower. 3, prospective case-control study. Copyright © 2017 Elsevier Masson SAS. All rights reserved.

Theoretical spectroscopy study of the low-lying electronic states of UX and UX{sup +}, X = F and Cl

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

Bross, David H.; Peterson, Kirk A., E-mail: kipeters@wsu.edu

Spectroscopic constants (T{sub e}, r{sub e}, B{sub 0}, ω{sub e}, and ω{sub e}x{sub e}) have been calculated for the low-lying electronic states of UF, UF{sup +}, UCl, and UCl{sup +} using complete active space 2nd-order perturbation theory (CASPT2), with a series of correlation consistent basis sets. The latter included those based on both pseudopotential (PP) and all-electron Douglas-Kroll-Hess Hamiltonians for the U atom. Spin orbit (SO) effects were included a posteriori using the state interacting method using both PP and Breit Pauli (BP) operators, as well as from exact two-component methods for U{sup +} and UF{sup +}. Complete basis setmore » (CBS) limits were obtained by extrapolation where possible and the PP and BP calculations were compared at their respective CBS limits. The PP-based method was shown to be reliable in calculating spectroscopic constants, in particular when using the state interacting method with CASPT2 energies (SO-CASPT2). The two component calculations were limited by computational resources and could not include electron correlation from the nominally closed shell 6s and 6p orbitals of U. UF and UCl were both calculated to have Ω = 9/2 ground states. The first excited state of UCl was calculated to be an Ω = 7/2 state at 78 cm{sup −1} as opposed to the same state at 435 cm{sup −1} in UF, and the other low-lying states of UCl showed a similar compression relative to UF. Likewise, UF{sup +} and UCl{sup +} both have Ω = 4 ground states and the manifold of low-lying excited Ω = 3, 2, 1, 0 states was energetically closer together in UCl{sup +} than in UF{sup +}, ranging up to 776 cm{sup −1} in UF{sup +} and only 438 cm{sup −1} in UCl{sup +}. As in previous studies, the final PP-based SO-CASPT2 results for UF{sup +} and UF agree well with experiment and are expected to be predictive for UCl and UCl{sup +}, which are reported here for the first time.« less

The Microquasar Cyg X-1: A Short Review

NASA Technical Reports Server (NTRS)

Nowak, M. A.; Wilms, J.; Hanke, M.; Pottschmidt, K.; Markoff, S.

2011-01-01

We review the spectral properties of the black hole candidate Cygnus X-I. Specifically, we discuss two recent sets of multi-satellite observations. One comprises a 0.5-500 keY spectrum, obtained with eve!)' flying X-ray satellite at that time, that is among the hardest Cyg X-I spectra observed to date. The second set is comprised of 0.5-40 keV Chandra-HETG plus RXTE-PCA spectra from a radio-quiet, spectrally soft state. We first discuss the "messy astrophysics" often neglected in the study of Cyg X-I, i.e., ionized absorption from the wind of the secondary and the foreground dust scattering halo. We then discuss components common to both state extremes: a low temperature accretion disk, and a relativistically broadened Fe line and reflection. Hard state spectral models indicate that the disk inner edge does not extend beyond > or approx.= 40 GM/sq c , and may even approach as close as approx. = 6GM/sq c. The soft state exhibits a much more prominent disk component; however, its very low normalization plausibly indicates a spinning black hole in the Cyg X-I system. Key words. accretion, accretion disks - black hole physics - X-rays:binaries

A Sixteen Node Shell Element with a Matrix Stabilization Scheme.

DTIC Science & Technology

1987-04-22

coordinates with components x, y and z are defined on the shell midsurface in addition to global coordinates with components X, Y and Z. The x, y and z axes... midsurface while a3 is normal to the surface. The al, A2 and a3 vectors are given at each node as an input. In addition, they are defined at each integra...drawn from the point on the midsurface to the generic material point, t is the shell thickness and the nondimenslonal coordinate C runs from -1 to 1

Carbon and Nitrogen Input Fluxes in Subducting Sediments at the Izu-Bonin and Central America Convergent Margins

NASA Astrophysics Data System (ADS)

Li, L.; Sadofsky, S. J.; Bebout, G. E.

2003-12-01

We are investigating the N and C contents and isotope ratios in subducting sediment sections in the two MARGINS Subduction Factory focus sites, the Izu-Bonin (IB) and Central America (CA) convergent margins (using samples obtained on DSDP/ODP Legs 125, 170, 185, and 205). The sediments from IB (Site 1149, and Leg 129) contain 5 to 661 ppm N with δ 15NAir values of +2.5 to +8.2 per mil (weighted average +4.6 per mil). Reduced-C concentrations range from 0.02 to 0.35% with δ 13CPDB values from -28.1 to -21.7 per mil. Calcite in carbonate-rich layers has δ 13C of +1.7 to +2.8 per mil and δ 18OVSMOW of +28.5 to +29.7 per mil. In comparison with IB, the CA sediment section (Site 1039) has far higher N content (663 to 2380 ppm N with δ 15N of +3.9 to +7.1 per mil; weighted average +5.6 per mil). Calcite in Site 1039 carbonate-rich layers hasδ 13C of +0.1 to +3.0 per mil and δ 18O of +29.9 to +32.1 per mil. At Site 1149, down-section decrease in N content, accompanied by decrease in δ 15N and C/N, is thought to reflect diagenesis, whereas at Site 1039, down-section decrease in N content (near 2000 ppm at surface, near 1000 ppm at 150 km) occurs without an obvious shift in δ 15N (reduced C data not yet available). Based on the C-N concentration data we've obtained, sediment C-N input fluxes are estimated at, for the IB margin, 2.5x106 g/km.year for N, 1.7x107 g/km.year for reduced C, and 9.2x108 g/km.year for oxidized C. For the CA margin, we estimate input fluxes of 8.9x106 g/km.year for N, and 1.3x109 g/km.year for oxidized C (work on reduced C is underway). Our input fluxes for C and N differ significantly from previously published input fluxes for the two margins based on estimated subducting sediment C-N concentrations, but errors are large. For the CA margin, the sediment-only N input flux of 9.8x109 g/year (for the entire 1100 km trench length), based on our results for Site 1039, can be compared with the arc volcanic output flux of 8.1x109 g/year of Fischer et al. (2002, Science; N input flux of 6.4x109 g/year estimated by those authors), indicating the incomplete return of subducted N to the surface in arcs. The magnitude of the N input flux in altered oceanic crust remains unknown (work on AOC N-δ 15N is underway) but should also be considered in such comparisons. All estimates of this type assume uniformity in the incoming sediment section along-strike in active trenches (known not to be the case). Shifts from δ 15N values measured for the two sediment sections to values near +7 per mil for the deeply subducted sediment component as suggested by studies of volcanic gases (e.g., Fischer et al., 2002; Hilton et al., 2002) could be accomplished by moderate loss of isotopically light N during metamorphic devolatilization across forearcs.

Asymptotics of the monomer-dimer model on two-dimensional semi-infinite lattices

NASA Astrophysics Data System (ADS)

Kong, Yong

2007-05-01

By using the asymptotic theory of Pemantle and Wilson [R. Pemantle and M. C. Wilson, J. Comb. Theory, Ser. AJCBTA70097-316510.1006/jcta.2001.3201 97, 129 (2002)], asymptotic expansions of the free energy of the monomer-dimer model on two-dimensional semi-infinite ∞×n lattices in terms of dimer density are obtained for small values of n , at both high- and low-dimer-density limits. In the high-dimer-density limit, the theoretical results confirm the dependence of the free energy on the parity of n , a result obtained previously by computational methods by Y. Kong [Y. Kong, Phys. Rev. EPLEEE81063-651X10.1103/PhysRevE.74.061102 74, 061102 (2006); Phys. Rev. EPLEEE81063-651X10.1103/PhysRevE.73.016106 73, 016106 (2006);Phys. Rev. EPLEEE81063-651X10.1103/PhysRevE.74.011102 74, 011102 (2006)]. In the low-dimer-density limit, the free energy on a cylinder ∞×n lattice strip has exactly the same first n terms in the series expansion as that of an infinite ∞×∞ lattice.

Effect of neutron irradiation on the thermoelectric properties of SiGe alloys

NASA Technical Reports Server (NTRS)

Vandersande, Jan W.; Mccormack, Joe; Zoltan, Andy; Farmer, John

1990-01-01

Zone-leveled and hot-pressed n- and p-type Si80Ge20 alloys were irradiated with neutrons to a fluence of 4 x 1018 n/sq cm and to a fluence of 5.4 x 1019 n/sq cm at a temperature of approximately 200-300 C. The effect of neutron irradiation on the thermoelectric properties of these alloys was evaluated. The carrier concentration and mobility (and hence the resistivity) were measured at room temperature while the thermal diffusivity was measured at 177-192 C both before and after the irradiation and after each subsequent 2-h heat treatment at 350 C, 600, and 1000 C. The irradiation increased the resistivity significantly, but the thermal conductivity decreased only by about 10-15 percent. This tends to indicate that the radiation produced only small defects (single pairs and small vacancy chains). The samples all returned to almost exactly their preirradiation state after the 1000 C anneal. This indicates that SiGe alloys can be operated in this neutron fluence at high temperatures without a degradation of thermoelectric properties.

Performance analysis of grazing incidence imaging systems. [X ray telescope aberrations

NASA Technical Reports Server (NTRS)

Winkler, C. E.; Korsch, D.

1977-01-01

An exact expression relating the coordinates of a point on the incident ray, a point of reflection from an arbitrary surface, and a point on the reflected ray is derived. The exact relation is then specialized for the case of grazing incidence, and first order and third order systematic analyses are carried out for a single reflective surface and then for a combination of two surfaces. The third order treatment yields a complete set of primary aberrations for single element and two element systems. The importance of a judicious choice for a coordinate system in showing field curvature to clearly be the predominant aberration for a two element system is discussed. The validity of the theory is verified through comparisons with the exact ray trace results for the case of the telescope.

Deuterium REDOR: Principles and Applications for Distance Measurements

NASA Astrophysics Data System (ADS)

Sack, I.; Goldbourt, A.; Vega, S.; Buntkowsky, G.

1999-05-01

The application of short composite pulse schemes ([figure] and [figure]) to the rotational echo double-resonance (REDOR) spectroscopy ofX-2H (X: spin{1}/{2}, observed) systems with large deuterium quadrupolar interactions has been studied experimentally and theoretically and compared with simple 180° pulse schemes. The basic properties of the composite pulses on the deuterium nuclei have been elucidated, using average Hamiltonian theory, and exact simulations of the experiments have been achieved by stepwise integration of the equation of motion of the density matrix. REDOR experiments were performed on15N-2H in doubly labeled acetanilide and on13C-2H in singly2H-labeled acetanilide. The most efficient REDOR dephasing was observed when [figure] composite pulses were used. It is found that the dephasing due to simple 180° deuterium pulses is about a factor of 2 less efficient than the dephasing due to the composite pulse sequences and thus the range of couplings observable byX-2H REDOR is enlarged toward weaker couplings, i.e., larger distances. From these experiments the2H-15N dipolar coupling between the amino deuteron and the amino nitrogen and the2H-13C dipolar couplings between the amino deuteron and the α and β carbons have been elucidated and the corresponding distances have been determined. The distance data from REDOR are in good agreement with data from X-ray and neutron diffraction, showing the power of the method.

Diffuse X-ray Emission from M101

NASA Technical Reports Server (NTRS)

Kuntz, K. D.; Snowden, S. L.; Pence, W. D.; Mukai, K.; White, Nicholas E. (Technical Monitor)

2002-01-01

The total 0.45-2.0 keV luminosity of M101 is 3.1 x 10(exp 39) ergs/s, of which 2.2 x 10(exp 39) ergs/s is due to diffuse emission. Of the diffuse emission, no more than 6% can be due to unresolved point sources such as X-ray binaries, and approx. 11% is due to dwarf stars. The diffuse emission traces the spiral arms and is roughly correlated with the H alpha and FUV (far ultraviolet) emission. The radial distribution closely follows the optical profile. The bulk of the diffuse emission is characterized by a two thermal component spectrum with kT = 0.20,0.75 keV, and the ratios of the emission measures of the two components is roughly constant as a function of both radius and surface brightness. The softer component has a sufficiently large covering factor that the bulk of the emission is likely extra-planar. We find no evidence of an extended axisymmetric X-ray halo, suggesting that any such halo has a strength much smaller than current predictions.

Palladium complexes of a phosphorus ylide with two stabilizing groups: synthesis, structure, and DFT study of the bonding modes.

PubMed

Falvello, Larry R; Ginés, Juan Carlos; Carbó, Jorge J; Lledós, Agustí; Navarro, Rafael; Soler, Tatiana; Urriolabeitia, Esteban P

2006-08-21

The phosphorus ylide ligand [Ph3P=C(CO2Me)C(=NPh)CO2Me] (L1) has been prepared and fully characterized by spectroscopic, crystallographic, and density functional theory (DFT) methods (B3LYP level). The reactivity of L1 toward several cationic Pd(II) and Pt(II) precursors, with two vacant coordination sites, has been studied. The reaction of [M(C/\\X)(THF)2]ClO4 with L1 (1:1 molar ratio) gives [M(C/\\X)(L1)]ClO4 [M = Pd, C/\\X = C6H4CH2NMe2 (1), S-C6H4C(H)MeNMe2 (2), CH2-8-C9H6N (3), C6H4-2-NC5H4 (4), o-CH2C6H4P(o-tol)2 (6), eta3-C3H5 (7); M = Pt, C/\\X = o-CH2C6H4P(o-tol)2 (5); M(C/\\X) = Pd(C6F5)(SC4H8) (8), PdCl2 (9)]. In complexes 1-9, the ligand L1 bonds systematically to the metal center through the iminic N and the carbonyl O of the stabilizing CO2Me group, as is evident from the NMR data and from the X-ray structure of 3. Ligand L1 can also be orthopalladated by reaction with Pd(OAc)2 and LiCl, giving the dinuclear derivative [Pd(mu-Cl)(C6H4-2-PPh2=C(CO2Me)C(CO2Me)=NPh)]2 (10). The X-ray crystal structure of 10 is also reported. In none of the prepared complexes 1-10 was the C(alpha) atom found to be bonded to the metal center. DFT calculations and Bader analysis were performed on ylide L1 and complex 9 and its congeners in order to assess the preference of the six-membered N,O metallacycle over the four-membered C,N and five-membered C,O rings. The presence of two stabilizing groups at the ylidic C causes a reduction of its bonding capabilities. The increasing strength of the Pd-C, Pd-O, and Pd-N bonds along with other subtle effects are responsible for the relative stabilities of the different bonding modes.

LETTER TO THE EDITOR: Exact energy distribution function in a time-dependent harmonic oscillator

NASA Astrophysics Data System (ADS)

Robnik, Marko; Romanovski, Valery G.; Stöckmann, Hans-Jürgen

2006-09-01

Following a recent work by Robnik and Romanovski (2006 J. Phys. A: Math. Gen. 39 L35, 2006 Open Syst. Inf. Dyn. 13 197-222), we derive an explicit formula for the universal distribution function of the final energies in a time-dependent 1D harmonic oscillator, whose functional form does not depend on the details of the frequency ω(t) and is closely related to the conservation of the adiabatic invariant. The normalized distribution function is P(x) = \\pi^{-1} (2\\mu^2 - x^2)^{-\\frac{1}{2}} , where x=E_1- \\skew3\\bar{E}_1 ; E1 is the final energy, \\skew3\\bar{E}_1 is its average value and µ2 is the variance of E1. \\skew3\\bar{E}_1 and µ2 can be calculated exactly using the WKB approach to all orders.

Seyfert galaxy ultraviolet emission-line intensities and variability - A self-consistent photoionization analysis applied to broad-line-emitting gas in NGC 3783

NASA Technical Reports Server (NTRS)

Koratkar, Anuradha P.; Macalpine, Gordon M.

1992-01-01

Well-constrained photoionization models for the Seyfert I galaxy NGC 3783 are developed. Both cross-correlation analyses and line variability trends with varying ionizing radiation flux require a multicomponent picture. All the data for He II 1640 A, C IV 1549 A, and semiforbidden C III 1909 A can be reasonably well reproduced by two cloud components. One has a source-cloud distance of 24 lt-days, gas density around 3 x 10 exp 10/cu cm, ionization parameter range of 0.04-0.2, and cloud thickness such that about half of the carbon is doubly ionized and about half is triply ionized. The other component is located approximately 96 lt-days from the source, is shielded from the source by the inner cloud, has a density about 3 x 10 to the 9th/cu cm, and is characterized by an ionization parameter range of 0.001-0.03, The cloud thickness is such that about 45 percent carbon is doubly ionized and about 55 percent is singly ionized.

A potential for overestimating the absolute magnitudes of second virial coefficients by small-angle X-ray scattering.

PubMed

Scott, David J; Patel, Trushar R; Winzor, Donald J

2013-04-15

Theoretical consideration is given to the effect of cosolutes (including buffer and electrolyte components) on the determination of second virial coefficients for proteins by small-angle X-ray scattering (SAXS)-a factor overlooked in current analyses in terms of expressions for a two-component system. A potential deficiency of existing practices is illustrated by reassessment of published results on the effect of polyethylene glycol concentration on the second virial coefficient for urate oxidase. This error reflects the substitution of I(0,c3,0), the scattering intensity in the limit of zero scattering angle and solute concentration, for I(0,0,0), the corresponding parameter in the limit of zero cosolute concentration (c3) as well. Published static light scattering results on the dependence of the apparent molecular weight of ovalbumin on buffer concentration are extrapolated to zero concentration to obtain the true value (M2) and thereby establish the feasibility of obtaining the analogous SAXS parameter, I(0,0,0), experimentally. Copyright © 2013 Elsevier Inc. All rights reserved.

Multistage ordering and critical singularities in C o1 -xZ nxA l2O4(0 ≤x ≤1 ) : Dilution and pressure effects in a magnetically frustrated system

NASA Astrophysics Data System (ADS)

Naka, Takashi; Sato, Koichi; Matsushita, Yoshitaka; Terada, Noriki; Ishii, Satoshi; Nakane, Takayuki; Taguchi, Minori; Nakayama, Minako; Hashishin, Takeshi; Ohara, Satoshi; Takami, Seiichi; Matsushita, Akiyuki

2015-06-01

We report comprehensive studies of the crystallographic, magnetic, and thermal properties of a spinel-type magnetically frustrated compound, CoA l2O4 , and a magnetically diluted system, C o1- xZ nxA l2O4 . These studies revealed the effects of dilution and disorder when the tetrahedral magnetic Co ion was replaced by the nonmagnetic Zn ion. Low-temperature anomalies were observed in magnetic susceptibility at x <0.6 . A multicritical point was apparent at T =3.4 K and x =0.12 , where the antiferromagnetic, spin-glass-like, and paramagnetic phases met. At that point, the quenched ferromagnetic component induced by a magnetic field during cooling was sharply enhanced and was observable below x =0.6 . At x ˜0.6 , magnetic susceptibility and specific heat were described by temperature power laws, χ ˜C /T ˜T-δ , in accord with the site percolation threshold of the diamond lattice. This behavior is reminiscent of a quantum critical singularity. We propose an x -temperature phase diagram in the range 0 ≤x ≤1 for C o1- xZ nxA l2O4 . The transition temperature of CoA l2O4 determined from magnetic susceptibility measured under hydrostatic pressure increased with increasing pressure.

Hot Structure Control Surface Progress for X-37 Technology Development Program

NASA Technical Reports Server (NTRS)

Valentine, P. G.; Meyer, David L. (Editor); Snow, Holly (Editor)

2004-01-01

The NASA Marshall Space Flight Center (MSFC) has been leading the development of technologies that will enable the development, fabrication, and flight of the automated X-37 Orbital Vehicle (OV). With the Administration s recent announcement of the Vision for Space Exploration, NASA placed the X-37 OV design on hold while developing detailed requirements for a Crew Exploration Vehicle, but has continued funding the development of high-risk, critical technologies for potential future space exploration vehicle applications. Hot Structure Control Surfaces (HSCS) technology development is one of the high-priority areas being funded at this time. The goal of HSCS research is to mitigate risk by qualifying the lightest possible components that meet the stringent X-37 OV weight and performance requirements, including Shuttle-type reen- try environments with peak temperatures of 2800 OF. The small size of the X-37 OV (25.7-feet long and 14.9-foot wingspan) drives the need for advanced HSCS because the vehicle's two primary aerodynamic surfaces, the flaperons and ruddervators, have thicknesses ranging from approximately 5 in. down to 1 in. Traditional metallic or polymer-matrix composites covered with tile or blanket thermal protection system (TPS) materials cannot be used as there is insufficient volume to fabricate such multi-component structures. Therefore, carbon-carbon (C-C) and carbodsilicon-carbide (C-SiC) composite HSCS structures are being developed in parallel by two teams supporting the X-37 prime contractor (The Boeing Company). The Science Applications International Coy. (SAIC) and Carbon-Carbon Advanced Technologies, Inc. (C-CAT) team is developing the C-C HSCS, while the General Electric Energy Power Systems Composites (GE-PSC) and Materials Research and Design (MRD) team is developing the C-SiC HSCS. These two teams were selected to reduce the high level of risk associated with developing advanced control surface components. They have continued HSCS development work as part of the X-37 critical technology development contract. The SAIC/C-CAT team is using Advanced Carbon-Carbon (ACC) because its fabrication is very similar to the process used for Space Shuttle Reinforced Carbon-Carbon fabrication, including the Sic-based pack cementation conversion coating systems using with both materials. ACC was selected over RCC because it has much higher tension and compressions strengths, and because T-300 fiber is readily available, whereas RCC rayon fiber is no longer manufactured. The GE-PSC/MRD team is using a T-300 fiber-reinforced Sic matrix composite material densified by chemical vapor infiltration. The C-Sic material has an Sic-based environmental barrier coating. Major accomplishments have been made over the past year by both HSCS teams. C-C and C- SiC flaperon subcomponents, which are truncated full-scale versions of flight hardware, have been fabricated and are undergoing testing at the NASA Dryden Flight Research Center, NASA Langley Research Center, and U.S. Air Force Research Laboratory. By the end of 2004, ruddervator subcomponents also will be delivered and tested. As NASA moves forward in realizing the Vision for Space Exploration, it will continue to invest in advanced research and development aimed at making new generations of spacecraft safer, more reliable, and more affordable. The X-37 HSCS effort ultimately will benefit the Agency's vision and mission.

Distribution of short block copolymer chains in Binary Blends of Block Copolymers Having Hydrogen Bonding

NASA Astrophysics Data System (ADS)

Kwak, Jongheon; Han, Sunghyun; Kim, Jin Kon

2014-03-01

A binary mixture of two block copolymers whose blocks are capable of forming the hydrogen bonding allows one to obtain various microdomains that could not be expected for neat block copolymer. For instance, the binary blend of symmetric polystyrene-block-poly(2-vinylpyridine) copolymer (PS-b-P2VP) and polystyrene-block-polyhydroxystyrene copolymer (PS-b-PHS) blends where the hydrogen bonding occurred between P2VP and PHS showed hexagonally packed (HEX) cylindrical and body centered cubic (BCC) spherical microdomains. To know the exact location of short block copolymer chains at the interface, we synthesized deuterated polystyrene-block-polyhydroxystyrene copolymer (dPS-b-PHS) and prepared a binary mixture with PS-b-P2VP. We investigate, via small angle X-ray scattering (SAXS) and neutron reflectivity (NR), the exact location of shorter dPS block chain near the interface of the microdomains.

[Mobility of a polyethylene tibial insert in a mobile total knee prosthesis].

PubMed

Castel, E; Roger, B; Camproux, A; Saillant, G

1999-03-01

We have studied the mobility of a mobile tibial implant in total knee arthroplasty (TKA) by a radiographical evaluation. We analyzed mobility of the polyethylene tibial insert of 15 "G2S" TKA implanted for one year or more. We established a dynamic radiographical evaluation. We used 3 weight-bearing radiographs: AP in extension and two lateral (one in extension and one at 90 degrees of flexion), two AP with femoral internal and external rotation, 2 strict lateral X-rays in neutral rotation in antero-posterior replacement with a 25 kilograms strength Telos, and 2 AP in varus and valgus with Telos. Wilcoxon's test and Fisher's exact test were used for statistical evaluation. Our study demonstrated preservation of the polyethylene mobility in tibial TKA implant in all movements: in rotation, in antero-posterior translation with Telos, and even in antero-posterior translation during physiological condition with flexion-extension weight-bearing radiographs. Statistical tests were very significant. We noticed that flexion induced anterior translation of tibial polyethylene when PCL was preserved. This study answered to our question whether mobility of TKA tibial implant persists after implantation. This mobility should reduce loosening forces to the tibia and stress in the polyethylene component. Now we have to determine the amplitude of mobility required to reach this objective.

Local unitary transformation method for large-scale two-component relativistic calculations. II. Extension to two-electron Coulomb interaction.

PubMed

Seino, Junji; Nakai, Hiromi

2012-10-14

The local unitary transformation (LUT) scheme at the spin-free infinite-order Douglas-Kroll-Hess (IODKH) level [J. Seino and H. Nakai, J. Chem. Phys. 136, 244102 (2012)], which is based on the locality of relativistic effects, has been extended to a four-component Dirac-Coulomb Hamiltonian. In the previous study, the LUT scheme was applied only to a one-particle IODKH Hamiltonian with non-relativistic two-electron Coulomb interaction, termed IODKH/C. The current study extends the LUT scheme to a two-particle IODKH Hamiltonian as well as one-particle one, termed IODKH/IODKH, which has been a real bottleneck in numerical calculation. The LUT scheme with the IODKH/IODKH Hamiltonian was numerically assessed in the diatomic molecules HX and X(2) and hydrogen halide molecules, (HX)(n) (X = F, Cl, Br, and I). The total Hartree-Fock energies calculated by the LUT method agree well with conventional IODKH/IODKH results. The computational cost of the LUT method is reduced drastically compared with that of the conventional method. In addition, the LUT method achieves linear-scaling with respect to the system size and a small prefactor.

Genetic studies on experimental autoimmune gastritis induced by neonatal thymectomy using recombinant inbred strains between a high-incidence strain, BALB/c, and a low-incidence strain, DBA/2.

PubMed Central

Mori, Y; Hosono, M; Murakami, K; Katoh, H; Yoshikawa, Y; Kuribayashi, K; Kannagi, R; Sakai, M; Okuma, M; Masuda, T

1991-01-01

Thymectomy on day 3 after birth induced autoimmune gastritis (AIG) at the age of 2 months in 51-73% of BALB/c mice, and in only 3-5% of DBA/2 mice. AIG was detected by histological and serological (immunofluorescence staining for detecting anti-parietal cell autoantibody) examination. However, autoantibody was weakly positive in almost all of these DBA/2 mice when measured by ELISA using extract of murine gastric mucosa as the antigen. To investigate genetically the mechanism controlling the incidence of AIG, II recombinant inbred strains established by brother-sister mating of (BALB/c x DBA/2) F2 mice (C x D2 strains) were used. Among 26 markers tested, the Mls-1 locus on BALB/c chromosome 1 and the Hc locus coding a complement component (C5) on BALB/c chromosome 2 were found to be associated with high susceptibility to AIG. However, if one or both of the loci were of DBA/2 origin, mice showed medium or low susceptibility to AIG. For further analysis, F1, F2 and back-cross generations of these two strains were tested, but segregation of a single susceptibility or insusceptibility gene was not obtained. Taken together, it seems probable that two or more genes are involved in the induction mechanism of AIG. We did not detect C5 deposition in AIG lesions, nor complement-dependent cytotoxic antibody to parietal cells in serum from AIG mice. However, injection of irradiated spleen cells of DBA/2 mice into BALB/c mice thymectomized on day 3 augmented the incidence of AIG from 71 to 100%, but not that of oophoritis (33%). A relationship between Mls-1a determinants and the pathogenesis of AIG was further suggested from the fact that V beta 6 TcR-expressing T cells increased in number in AIG-bearing compared with normal BALB/c mice. Images Fig. 1 PMID:1901777

DOG-1 Is the Caenorhabditis elegans BRIP1/FANCJ Homologue and Functions in Interstrand Cross-Link Repair▿

PubMed Central

Youds, Jillian L.; Barber, Louise J.; Ward, Jordan D.; Collis, Spencer J.; O'Neil, Nigel J.; Boulton, Simon J.; Rose, Ann M.

2008-01-01

Fanconi anemia (FA) is a cancer susceptibility syndrome characterized by defective DNA interstrand cross-link (ICL) repair. Here, we show that DOG-1 is the Caenorhabditis elegans homologue of FANCJ, a helicase mutated in FA-J patients. DOG-1 performs a conserved role in ICL repair, as dog-1 mutants are hypersensitive to ICL-inducing agents, but not to UVC irradiation or X rays. Genetic analysis indicated that dog-1 is epistatic with fcd-2 (C. elegans FANCD2) but is nonepistatic with brc-1 (C. elegans BRCA1), thus establishing the existence of two distinct pathways of ICL repair in worms. Furthermore, DOG-1 is dispensable for FCD-2 and RAD-51 focus formation, suggesting that DOG-1 operates downstream of FCD-2 and RAD-51 in ICL repair. DOG-1 was previously implicated in poly(G)/poly(C) (G/C) tract maintenance during DNA replication. G/C tracts remain stable in the absence of ATL-1, CLK-2 (FA pathway activators), FCD-2, BRC-2, and MLH-1 (associated FA components), implying that DOG-1 is the sole FA component required for G/C tract maintenance in a wild-type background. However, FCD-2 is required to promote deletion-free repair at G/C tracts in dog-1 mutants, consistent with a role for FA factors at the replication fork. The functional conservation between DOG-1 and FANCJ suggests a possible role for FANCJ in G/C tract maintenance in human cells. PMID:18086896

Environmental Barrier Coatings for Silicon-Based Ceramics

NASA Technical Reports Server (NTRS)

Lee, Kang N.; Fox, Dennis S.; Robinson, Raymond C.; Bansal, Narottam P.

2001-01-01

Silicon-based ceramics, such as SiC fiber-reinforced SiC (SiC/SiC ceramic matrix composites (CMC) and monolithic silicon nitride (Si3N4), are prime candidates for hot section structural components of next generation gas turbine engines. Silicon-based ceramics, however, suffer from rapid surface recession in combustion environments due to volatilization of the silica scale via reaction with water vapor, a major product of combustion. Therefore, application of silicon-based ceramic components in the hot section of advanced gas turbine engines requires development of a reliable method to protect the ceramic from environmental attack. An external environmental barrier coating (EBC) is considered a logical approach to achieve protection and CP long-term stability. The first generation EBC consisted of two layers, mullite (3Al2O3-2SiO2) bond coat and yttria-stabilized zirconia (YSZ, ZrO2-8 Wt.% Y2O3) top coat. Second generation EBCs, with substantially improved performance compared with the first generation EBC, were developed in the NASA High Speed Research-Enabling Propulsion Materials (HSR-EPM) Program. The first generation EBC consisted of two layers, mullite (3Al2O3-2SiO2) bond coat and yttria-stabilized zirconia (YSZ, ZrO2-8 wt.% Y2O3) top coat. Second generation EBCs, with substantially improved performance compared with the first generation EBC, were developed in the NASA High Speed Research-Enabling Propulsion Materials (HSR-EPM) Program (5). They consist of three layers, a silicon first bond coat, a mullite or a mullite + BSAS (BaO(1-x)-SrO(x)-Al2O3-2SiO2) second bond coat, and a BSAS top coat. The EPM EBCs were applied on SiC/SiC CMC combustor liners in three Solar Turbines (San Diego, CA) Centaur 50s gas turbine engines. The combined operation of the three engines has accumulated over 24,000 hours without failure (approximately 1,250 C maximum combustor liner temperature), with the engine in Texaco, Bakersfield, CA, accumulating about 14,000 hours. As the commercialization of Si-based ceramic components in gas turbines is on the horizon, a major emphasis is placed on EBCs for two reasons. First, they are absolute necessity for the protection of Si-based ceramics from water vapor. Second, they can enable a major enhancement in the performance of gas turbines by creating temperature gradients with the incorporation of a low thermal conductivity layer. Thorough understanding of current state-of-the-art EBCs will provide the foundation upon which development of future EBCs will be based. Phase stability and thermal conductivity of EPM EBCs are published elsewhere. This paper will discuss the chemical/environmental durability and silica volatility of EPM EBCs and their impact on the coating's upper temperature limit.

THE EFFECTS OF REACTOR RADIATION ON THE ELECTRICAL PROPERTIES OF ELECTRONIC COMPONENTS. PART VII. RESISTORS AND VACUUM TUBES

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

Palmer, E.E.; Howell, D.

1961-06-01

Several types of vacuum tubes and resistors were irradiated with the Ground Test Reactor for a period of 100 hours at a power level of 1 megawatt. Data were taken on the components before, during, and after the irradiation. The vacuum tubes received a maximum radiation exposure of 8.64 x 10/sup 1//sup 5/ nf/ cm/sup 2/ and 3.9 x 10/sup 1//sup 0/ ergs/gm(C). A small increase in the average plate current was noted for all tube types. Pentodes subjected to the high-flunx field exhibited the largest percent change ( approx equal 6%) while dicdes remained relatively unaffected-at these radiation levels.more » The resistors received a maximum radiation exposure of 1.4 x 10/sup 1//sup 6/ nf/cm/sup 2/ and 6.2 x 10/ sup 1//sup 0/ ergs/gm(C). The degree of damage was dependent upon the material and type of construetion of the individual resistor types. The maximum observed change ( approx equal 6%) occurred in fixed-composition resistors. (auth)« less

Role of the chemical substitution on the luminescence properties of solid solutions Ca{sub (1−x)}Cd{sub (x)}WO{sub 4} (0 ≤ x ≤1)

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

Taoufyq, A.; Laboratoire Matériaux et Environnement LME, Faculté des Sciences, Université Ibn Zohr, BP 8106, Cité Dakhla, Agadir; CEA, DEN, Département d'Etudes des Réacteurs, Service de Physique Expérimentale, Laboratoire Dosimétrie Capteurs Instrumentation, 13108 Saint-Paul-lez-Durance

2015-10-15

Highlights: • Luminescence can be modified by chemical substitution in solid solutions Ca{sub 1−x}Cd{sub x}WO{sub 4}. • The various emission spectra (charge transfer) were obtained under X-ray excitation. • Scheelite or wolframite solid solutions presented two types of emission spectra. • A luminescence component depended on cadmium substitution in each solid solution. • A component was only characteristic of oxyanion symmetry in each solid solution. - Abstract: We have investigated the chemical substitution effects on the luminescence properties under X-ray excitation of the solid solutions Ca{sub (1−x)}Cd{sub (x)}WO{sub 4} with 0 ≤ x ≤ 1. Two types of wide spectralmore » bands, associated with scheelite-type or wolframite-type solid solutions, have been observed at room temperature. We decomposed each spectral band into several spectral components characterized by energies and intensities varying with composition x. One Gaussian component was characterized by an energy decreasing regularly with the composition x, while the other Gaussian component was only related to the tetrahedral or octahedral configurations of tungstate groups WO{sub 4}{sup 2−} or WO{sub 6}{sup 6−}. The luminescence intensities exhibited minimum values in the composition range x < 0.5 corresponding to scheelite-type structures, then, they regularly increased for cadmium compositions x > 0.5 corresponding to wolframite-type structures.« less

Dense cavity walls traced by CS in the L1157-B1 protostellar shocked region

NASA Astrophysics Data System (ADS)

Gomez-Ruiz, Arturo; Codella, Claudio; Lefloch, Bertrand; Benedettini, Milena; Busquet, Gemma; Nisini, Brunella; Ceccarelli, Cecilia; Cabrit, Sylvie; Viti, Serena

2013-07-01

In the framework of the CHESS Key Program, an unbiased spectral survey performed with Herschel and IRAM, in the frequency range from 97 to 600 GHz, have provided a chemical census of the protostellar shock L1157-B1. Here we focus on the study of carbon monosulfide (CS), a standard tracer of high-density gas. We have detected a total of 18 emission lines, with E_u up to 183 K, due to four isotopologues (^12C^32S, ^12C^34S, ^13C^32S, and ^12C^33S). The unprecedented sensitivity of the survey allow us to carefully analyze the line profiles. These profiles can be well fitted by two exponential laws: I ∝ exp(-|v/v0|) with v0 = 4.4, and 2.5 km s-1. Remarkably these two exponential laws are the same as those found in the CO line profiles by Lefloch et al. (2012), and named g2 and g3 components, respectively. These components have been related to the cavity walls produced by the B1 shock and the older B2 shock, respectively. An important characteristic of the lines profiles is that the emission of high-J CS transitions (E_u > 60 K) comes only from the g2 component. Using the LVG approximation, the CS solutions constrain n >= 10^4.5 cm^-3. In addition, when contrasted with the CO results (that already constrained T_k of 90 K and 40 K for g2 and g3, respectively), we see that the LVG can provide strong constrains to the gas density, in this case about 5 x 10^5 cm^-3 for both g2 and g3 components. Thus, the combination of CO and CS is a powerful tool to constrain both n and T_k. Our CS observations show therefore that this molecule is highlighting the dense cavity walls produced by the episodic outflow.

Adaptation of C4 bioenergy crop species to various environments within the Southern Great Plains of U.S.

USDA-ARS?s Scientific Manuscript database

As high productivities of perennial grasses are evaluated for feedstock, a major consideration is biomass stability. In this study, two experiments were conducted to examine some components of this for two biofuel species: switchgrass (Panicum vigratum L.) and Miscanthus x giganteus (Mxg). The po...

Homologation chemistry with nucleophilic α-substituted organometallic reagents: chemocontrol, new concepts and (solved) challenges.

PubMed

Castoldi, Laura; Monticelli, Serena; Senatore, Raffaele; Ielo, Laura; Pace, Vittorio

2018-05-31

The transfer of a reactive nucleophilic CH2X unit into a preformed bond enables the introduction of a fragment featuring the exact and desired degree of functionalization through a single synthetic operation. The instability of metallated α-organometallic species often poses serious questions regarding the practicability of using this conceptually intuitive and simple approach for forming C-C or C-heteroatom bonds. A deep understanding of processes regulating the formation of these nucleophiles is a precious source of inspiration not only for successfully applying theoretically feasible transformations (i.e. determining how to employ a given reagent), but also for designing new reactions which ultimately lead to the introduction of molecular complexity via short experimental sequences.

C IV absorption-line variability in X-ray-bright broad absorption-line quasi-stellar objects

NASA Astrophysics Data System (ADS)

Joshi, Ravi; Chand, Hum; Srianand, Raghunathan; Majumdar, Jhilik

2014-07-01

We report the kinematic shift and strength variability of the C IV broad absorption-line (BAL) trough in two high-ionization X-ray-bright quasi-stellar objects (QSOs): SDSS J085551+375752 (at zem ˜ 1.936) and SDSS J091127+055054 (at zem ˜ 2.793). Both these QSOs have shown a combination of profile shifts and the appearance and disappearance of absorption components belonging to a single BAL trough. The observed average kinematic shift of the whole BAL profile resulted in an average deceleration of ˜-0.7 ± 0.1, -2.0 ± 0.1 cm s-2 over rest-frame time-spans of 3.11 and 2.34 yr for SDSS J085551+375752 and SDSS J091127+055054, respectively. To our knowledge, these are the largest kinematic shifts known, exceeding by factors of about 2.8 and 7.8 the highest deceleration reported in the literature; this makes both objects potential candidates to investigate outflows using multiwavelength monitoring of their line and continuum variability. We explore various possible mechanisms to understand the observed profile variations. Outflow models involving many small self-shielded clouds, probably moving in a curved path, provide the simplest explanation for the C IV BAL strength and velocity variations, along with the X-ray-bright nature of these sources.

Suzaku View of the Swift/BAT Active Galactic Nuclei. V. Torus Structure of Two Luminous Radio-Loud Active Galactic Nuclei (3C 206 and PKS 0707-35)

NASA Technical Reports Server (NTRS)

Tazaki, Fumie; Ueda, Yoshihiro; Terashima, Yuichi; Mushotzky, Richard F.; Tombesi, Francesco

2013-01-01

We present the results from broadband X-ray spectral analysis of 3C 206 and PKS 0707-35 with Suzaku and Swift/BAT, two of the most luminous unobscured and obscured radio-loud active galactic nuclei (AGNs) with hard X-ray luminosities of 10(sup 45.5) erg per second and 10(sup 44.9) erg per second (14-195 keV), respectively. Based on the radio core luminosity, we estimate that the X-ray spectrum of 3C 206 contains a significant (60% in the 14-195 keV band) contribution from the jet, while it is negligible in PKS 0707-35.We can successfully model the spectra with the jet component (for 3C 206), the transmitted emission, and two reflection components from the torus and the accretion disk. The reflection strengths from the torus are found to be R(sub torus)(=Omega/2pi) = 0.29 +/- 0.18 and 0.41 +/- 0.18 for 3C 206 and PKS 0707-35, respectively, which are smaller than those in typical Seyfert galaxies. Utilizing the torus model by Ikeda et al., we quantify the relation between the half-opening angle of a torus (theta(sub oa)) and the equivalent width of an iron-K line. The observed equivalent width of 3C 206, less than 71 eV, constrains the column density in the equatorial plane to N(sup eq)(sub H) lesst han 10(sup 23) per square centimeter, or the half-opening angle to theta(sub oa) greater than 80 deg. if N(sup eq)(sub H) = 10(sup 24) per square centimeter is assumed. That of PKS 0707-35, 72 +/- 36 eV, is consistent with N(sup eq)(sub H) 10(sup 23) per square centimeter. Our results suggest that the tori in luminous radio-loud AGNs are only poorly developed. The trend is similar to that seen in radio-quiet AGNs, implying that the torus structure is not different between AGNs with jets and without jets.

[Effects of selective cutting on the carbon density and net primary productivity of a mixed broadleaved-Korean pine forest in Northeast China].

PubMed

Liu, Qi; Cai, Hui-Ying; Jin, Guang-Ze

2013-10-01

To accurately quantify forest carbon density and net primary productivity (NPP) is of great significance in estimating the role of forest ecosystems in global carbon cycle. By using the forest inventory and allometry approaches, this paper measured the carbon density and NPP of the virgin broadleaved-Korean pine (Pinus koraiensis) forest and of the broadleaved-Korean pine forest after 34 years selective-cutting (the cutting intensity was 30%, and the cutting trees were in large diameter class). The total carbon density of the virgin and selective-cutting broadleaved-Korean pine forests was (397.95 +/- 93.82) and (355.61 +/- 59.37) t C x hm(-2), respectively. In the virgin forest, the carbon density of the vegetation, debris, and soil accounted for 31.0%, 3.1%, and 65.9% of the total carbon pool, respectively; in the selective-cutting forest, the corresponding values were 31.7%, 2.9%, and 65.4%, respectively. No significant differences were observed in the total carbon density and the carbon density of each component between the two forests. The total NPP of the virgin and selective-cutting forests was (36.27 +/- 0.36) and (6.35 +/- 0.70) t C x hm(-2) x a(-1), among which, the NPP of overstory, understory, and fine roots in virgin forest and selective-cutting forest accounted for 60.3%, 2.0%, and 37.7%, and 66.1%, 2.0%, and 31.2%, respectively. No significant differences were observed in the total NPP and the contribution rate of each component between the two forests. However, the ratios of the needle and broadleaf NPPs of the virgin and selective-cutting forests were 47.24:52.76 and 20.48:79.52, respectively, with a significant difference. The results indicated that the carbon density and NPP of the broadleaved-Korean pine forest after 34 years selective-cutting recovered to the levels of the virgin broadleaved-Korean pine forest.

[Difference evaluation of three kinds of root of Aconitum carmichaelii in Sichuan based on UPLC analysis of six alkaloids and chemometrics].

PubMed

Qian, Chang-Min; Song, Zhao-Hui; Zhang, Lan-Lan; Zhou, Shui-Ping; Feng, Feng

2013-09-01

An ultra performance liquid chromatography (UPLC) method was established and validated to simultaneously determine the contents of six aconitum alkaloids in mother, daughter and fibrous roots of 19 batches of Aconitum carmichaelii from Sichuan province. The separation of the six alkaloids was achieved on a ACQUITY UPLC BEH C18 (2.1 mm x 100 mm, 1.7 microm) column at 40 degrees C with a mobile phase consisting of acetonitrile in 30 mmol x L(-1) ammonium acetate buffer solution (adjusted to pH 10.0 with aqueous ammonia) in gradient mode. The data and plots showed that the six aconitum alkaloids have different distributions. Four aconitum alkaloids were almost same in mother and daughter root except benzoylmesaconine and mesaconitine, while the fibrous root differed from the other two roots. The comparisons of significant differences of six aconitum alkaloids between the mother and daughter roots definitely demonstrated that benzoylmesaconine and mesaconitine were the representative components. The 38 detecting samples were classified as two clusters by hierarchical clustering analysis (HCA) and principle component analysis (PCA), the results indicated that the mother root was different from the daughter root on chemical material basis. The study might contribute to the reasonable clinical application of A. carmichaelii.

The functionalization of carbon nanosheets

NASA Astrophysics Data System (ADS)

Quinlan, Ronald A.

Carbon nanosheets are a novel two-dimensional nanostructure made up of 2-20 graphene atomic planes oriented with their in-plane axis perpendicular to the growth substrate. Previous efforts in developing nanosheet technology have focused on the characterization of the system and their development as an electron source due to the high atomic enhancement factor (beta) and low turn on field. Further investigation of nanosheets as high surface area electrodes revealed poor wetting by polymeric material and extreme hydrophobic behavior. Because nanosheet technology has promise as a high surface area electrode material, this thesis research has focused on three areas of interest: the enhancement of nanosheets through chemical modification, the incorporation of the nanosheets into a polymeric composite and the delivery of a proof of concept measurement. We have successfully introduced defects into the graphene lattice of the nanosheet system via an acid treatment. Inspection of these defects by x-ray absorption near-edge spectroscopy (XANES) shows the introduction of two features in the spectra assigned to C=O pi* and C-O sigma* transitions. Thermal desorption spectroscopy (TDS) was used to identify the oxygen containing groups created during the functionalization as carboxylic and hydroxyl functional groups. These groups were identified through the combination of carboxylic, hydroxyl, anhydride and lactone peaks in the CO2, CO and H 2O TDS spectra. Deconvolution of the TDS spectra using 1st and 2nd order Polanyi-Wigner equations enables the calculation of desorption energy values for individual features and for the estimation of the number of atoms desorbing from the surface during a particular event. Identification of the exact nature of the functional groups was attempted through high resolution x-ray photoelectron spectroscopy (XPS) of the C(1s) and O(1s) peaks. Though the pairing of sub-peaks with specific functionalities of the system was not possible due to the complexities of the spectra, the trends observed in the data support the data gathered via the XANES and TDS experiments. Also, a procedure for the classification of defect density and exact functionality was outlined. Deconvolution of the TDS spectra using 1 st and 2nd order Polanyi-Wigner equations enabled the calculation of desorption energy values for individual features and for the estimation of the number of atoms desorbing from the surface during a particular event. This information along with the changing sub-peak areas from dedicated and calibrated XPS system would allow for not only a more accurate estimation of defect density, but also for the identification of sub-peaks in the C(1s) and O(1s) spectra. Finally, photoluminescence measurements of poly[2-methoxy-5-(2'-ethyl-hexyloxy)-1,4-phenylene vinylene] (MEH-PPV) and MEH-PPV/nanosheet systems showed a quenching of three orders of magnitude for the MEH-PPV/nanosheet system suggesting that nanosheets are a viable option for excition separation in organic photovoltaics.

Conformational Isomerism of trans-[Pt(NH2C6H11)2I2] and the Classical Wernerian Chemistry of [Pt(NH2C6H11)4]X2 (X = Cl, Br, I)1

PubMed Central

Johnstone, Timothy C.; Lippard, Stephen J.

2012-01-01

X-ray crystallographic analysis of the compound trans-[Pt(NH2C6H11)2I2] revealed the presence of two distinct conformers within one crystal lattice. This compound was studied by variable temperature NMR spectroscopy to investigate the dynamic interconversion between these isomers. The results of this investigation were interpreted using physical (CPK) and computational (molecular mechanics and density functional theory) models. The conversion of the salts [Pt(NH2C6H11)4]X2 into trans-[Pt(NH2C6H11)2X2] (X = Cl, Br, I) was also studied and is discussed here with an emphasis on parallels to the work of Alfred Werner. PMID:23554544

Measurement of the electric quadrupole moments of CO2 , CO, N2 , Cl2 and BF3

NASA Astrophysics Data System (ADS)

Graham, C.; Imrie, D. A.; Raab, R. E.

The electric quadrupole moments of a number of molecules have been determined from measurement of the birefringence induced in a gas by an electric field gradient. The values obtained are: carbon dioxide (- 14·27 ± 0·61)x 10-40 C m2, carbon monoxide (- 9·47 ± 0·15)x 10-40 C m2, nitrogen (- 4·65±0·08)x 10-40 C m2 and boron trifluoride (12·6±0·7)x 10-40 C m2. In the calculation of the moments for carbon monoxide and boron trifluoride the small hyperpolarizability contribution was neglected in the absence of known values. By means of the Jones calculus a detailed analysis was made of the effects of strain birefringence in the cell windows and imperfect orientation of polarizing components in the light path. This analysis led to a measurement procedure which yielded results significantly different from previously reported ones obtained with essentially the same apparatus. The probable error in the earlier procedure is identified.

Monochloro non-bridged half-metallocene-type zirconium complexes containing phosphine oxide-(thio)phenolate chelating ligands as efficient ethylene polymerization catalysts.

PubMed

Tang, Xiao-Yan; Wang, Yong-Xia; Liu, San-Rong; Liu, Jing-Yu; Li, Yue-Sheng

2013-01-14

A series of novel monochloro half-zirconocene complexes containing phosphine oxide-(thio)phenolate chelating ligands of the type, ClCp'Zr[X-2-R(1)-4-R(2)-6-(Ph(2)P=O)C(6)H(2)](2) (Cp' = C(5)H(5), 2a: X = O, R(1) = Ph, R(2) = H; 2b: X = O, R(1) = F, R(2) = H; 2c: X = O, R(1) = (t)Bu, R(2) = H; 2d: X = O, R(1) = R(2) = (t)Bu; 2e: X = O, R(1) = SiMe(3), R(2) = H; 2f: X = S, R(1) = SiMe(3), R(2) = H; Cp' = C(5)Me(5), 2g: X = O, R(1) = SiMe(3), R(2) = H), have been synthesized in high yields. These complexes were identified by (1)H {(13)C} NMR and elemental analyses. Structures for 2b, 2c and 2f were further confirmed by X-ray crystallography. Structural characterization of these complexes reveals crowded environments around the zirconium. Complexes 2b and 2c adopt six-coordinate, distorted octahedral geometry around the zirconium center, in which the equatorial positions are occupied by three oxygen atoms of two chelating phosphine oxide-bridged phenolate ligands and a chlorine atom. The cyclopentadienyl ring and one oxygen atom of the ligand are coordinated on the axial position. Complex 2f also folds a six-coordinate, distorted octahedral geometry around the Zr center, consisting of a Cp-Zr-O (in P=O) axis [177.16°] and a distorted plane of two sulfur atoms and one oxygen atom of two chelating phosphine oxide-bridged thiophenolate ligands as well as a chlorine atom. When activated by modified methylaluminoxane (MMAO), all the complexes exhibited high activities towards ethylene polymerization at high temperature (75 °C), giving high molecular weight polymers with unimodal molecular weight distribution. The formation of 14-electron, cationic metal alkyl species might come from the Zr-O (in phenol ring) bond cleavage based on the DFT calculations study.

Comparative analysis of spatial organization of laccases from Cerrena maxima and Coriolus zonatus

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

Zhukova, Yu. N.; Zhukhlistova, N. E.; Lyashenko, A. V.

2007-09-15

Laccase (oxygen oxidoreductase, EC 1.10.3.2) belongs to the multicopper oxidase family. The main function of this enzyme is to perform electron transfer from the oxidized substrate through the mononuclear copper-containing site T1 to the oxygen molecule bound to the site T3 in the trinuclear T2/T3 cluster. The structures of two new fungal laccases from C. maxima and C. zonatus were solved on the basis of synchrotron X-ray diffraction data. Both laccases show high structural homology with laccases from other sources. The role of the carbohydrate component of laccases in structure stabilization and formation of ordered protein crystals was demonstrated. Inmore » the structures of C. maxima and C. zonatus laccases, two water channels of functional importance were found and characterized. The structural results reported in the present study characterize one of the functional states of the enzyme fixed in the crystal structure.« less

Oxy-Component in low-Pressure Kaersutite: How Much can be a Primary Magmatic Feature?

NASA Astrophysics Data System (ADS)

McCubbin, F.; Nekvasil, H.; Lindsley, D. H.

2006-05-01

Introduction: The presence of an oxy-component in kaersutite has been well established [1]. Many workers have attributed this oxy-component to dehydration or dehydrogenation [1, 2]. However, it has also been suggested that the oxy-component can be a primary magmatic feature because of a Ti-oxy substitution mechanism [2, 3], although the exact mechanism has yet to be determined experimentally [3]. This work focuses on experimentally determining how much oxy-component can be incorporated into kaersutite (specifically F-kaersutite) as a primary magmatic feature at 0 kbar. Additionally, substitution mechanisms involving Ti-oxy substitutions are con-sidered. Experimental Procedure: Powdered mixes of oxides and CaF2 were used as starting materials. F2/O ratios were different for each starting material in hopes of creating kaersutites with specific oxy- components for each starting composition. The powders were loaded into Fe-capsules and dried at 800°C under vacuum in silica-glass tubes. Next the silica-glass tubes were sealed and placed in a Deltech furnace. The temperature within the furnace was raised above the melting temperature of the starting material and main-tained for 3 hours to allow for liquid equilibration. The tempera-ture was then lowered to a crystallization temperature and left for several days. Pressures of both melting and crystallization were nominally 0 kbar (tensile strength of silica glass tubes used is ~3 atm). The resulting phases were considered to be nomi-nally water-free. [Quenched glass experiments at these conditions yielded 0.0 wt% H2O as determined by micro-FTIR]. Ex-perimental run products were analyzed by electron-microprobe. Results: To date, experiments on a starting mate-rial with 3.55 wt% fluorine yielded kaersutite that had ~75 mol% F-component and ~25 mol% oxy-component (as-suming O(3) site stoichiometry). Experiments on a starting mate-rial with 0.89 wt% F yielded kaersutites ranging from ~55 mol% F- component and ~45 mol% Oxy-component to ~70 mol% F-component and ~30 mol% Oxy- component. Conclusions: Significant primary magmatic oxy-component is apparently required in F-kaersutite crystallized at 0 kbar, which is consistent with suggested substitution mechanisms [2, 3], although the exact mechanism seems to be more complex than previously proposed. The availability of magmatic volatiles within the magma plays a role in the amount of oxy-component in kaersutite and could account for the complexity in the substitu-tion mechanism. Work is ongoing to establish upper and lower limits of oxy-component in kaersutite by primary magmatic proc-esses. References: [1] Hawthorne F.C., and Grundy, H.D. (1973) Mineralogical Magazine, Vol. 39, pp. 390-400. [2] Popp, R.K., and Bryndzia, L.T. (1992) American Mineralogist, Vol. 77, pp. 1250-1257. [3] Popp, R.K., Virgo, D., Phillips, M.W. (1995b) American Mineralogist, Vol. 80, pp. 1347-1350.

Characterization testing of a 40 AHR bipolar nickel-hydrogen battery

NASA Astrophysics Data System (ADS)

Brewer, Jeffrey C.; Manzo, Michelle A.; Gemeiner, Russel P.

1989-12-01

Extensive characterization testing has been done on a second 40 amp-hour (Ahr), 10-cell bipolar nickel-hydrogen (Ni-H2) battery to study the effects of such operating parameters as charge and discharge rates, temperature, and pressure, on capacity, Ahr and watt-hour (Whr) efficiencies, end-of-charge (EOC) and mid-point discharge voltages. Testing to date has produced many interesting results, with the battery performing well throughout all of the test matrix except during the high-rate (5C and 10C) discharges, where poorer than expected results were observed. The exact cause of this poor performance is, as yet, unknown. Small scale 2 x 2 inch battery tests are to be used in studying this problem. Low earth orbit (LEO) cycle life testing at a 40 percent depth of discharge (DOD) and 10 C is scheduled to follow the characterization testing.

Characterization testing of a 40 AHR bipolar nickel-hydrogen battery

NASA Technical Reports Server (NTRS)

Brewer, Jeffrey C.; Manzo, Michelle A.; Gemeiner, Russel P.

1989-01-01

Extensive characterization testing has been done on a second 40 amp-hour (Ahr), 10-cell bipolar nickel-hydrogen (Ni-H2) battery to study the effects of such operating parameters as charge and discharge rates, temperature, and pressure, on capacity, Ahr and watt-hour (Whr) efficiencies, end-of-charge (EOC) and mid-point discharge voltages. Testing to date has produced many interesting results, with the battery performing well throughout all of the test matrix except during the high-rate (5C and 10C) discharges, where poorer than expected results were observed. The exact cause of this poor performance is, as yet, unknown. Small scale 2 x 2 inch battery tests are to be used in studying this problem. Low earth orbit (LEO) cycle life testing at a 40 percent depth of discharge (DOD) and 10 C is scheduled to follow the characterization testing.

Characterization testing of a 40 ampere hour bipolar nickel-hydrogen battery

NASA Technical Reports Server (NTRS)

Brewer, Jeffrey C.; Manzo, Michelle A.; Gemeiner, Russel P.

1990-01-01

Extensive characterization testing has been done on a second 40-ampere hour (A h), 10-cell, bipolar nickel-hydrogen (Ni-H2) battery, to study the effects of operating parameters such as charge and discharge rates, temperature, and pressure on capacity, A h and watt hour (W h) efficiencies, and end-of-charge and midpoint discharge voltages. Testing to date has produced many interesting results, with the battery performing well throughout the test matrix except during the high-rate (5 C and 10 C) discharges, where poorer than expected results were observed. The exact cause of this poor performance is, as yet, unknown. Small scale 2 in. x 2 in. battery tests are to be used in studying this problem. Low earth orbit cycle life testing at a 40-percent depth of discharge and 10 C is scheduled to follow the characterization testing.

Analytical Determinations of the Phenolic Content of Dissolved Organic Matter

NASA Astrophysics Data System (ADS)

Pagano, T.; Kenny, J. E.

2010-12-01

Indicators suggest that the amount of dissolved organic matter (DOM) in natural waters is increasing. Climate Change has been proposed as a potential contributor to the trend, and under this mechanism, the phenolic content of DOM may also be increasing. We have explored the possibility of assessing the phenolic character of DOM using fluorescence spectroscopy as a more convenient alternative to wet chemistry methods. In this work, parallel factor analysis (PARAFAC) was applied to fluorescence excitation emission matrices (EEMs) of humic samples in an attempt to analyze their phenolic content. The PARAFAC results were correlated with phenol concentrations derived from the Folin-Ciocalteau reagent-based method. The reagent-based method showed that the phenolic content of five International Humic Substance Society (IHSS) DOM samples vary from approximately 5 to 22 ppm Tannic Acid Equivalents (TAE) in phenol concentration. A five-component PARAFAC fit was applied to the EEMs of the IHSS sample dataset and it was determined by PARAFAC score correlations with phenol concentrations from the reagent-based method that components C1 (R2=0.78), C4 (R2=0.82), and C5 (R2=0.88) have the highest probability of containing phenolic groups. Furthermore, when the scores of components C4 and C5 were summed, the correlation improved (R2=0.99). Likewise, when the scores of C1, C4, and C5 were summed, their correlations were stronger than their individual parts (R2=0.89). Since the reagent-based method is providing an indicator of “total phenol” amount, regardless of the exact molecular structure of C1, C4, and C5, it seems reasonable that each of these components individually contributes a portion to the summed “total phenol” profile, and that the sum of their phenol-related spectral parts represents a larger portion of the “total phenol” index. However, when the sum of all five components were plotted against the reagent-based phenol concentrations, due to the considerable impact of largely non-phenolic components C2 (R2=0.23) and C3 (R2=0.35), the correlation was quite poor (or no correlation at all with R2=0.10). The results show the potential for PARAFAC analysis of multidimensional fluorescence data to be a tool for monitoring the phenolic content of DOM. Applications include assessing the potential for formation of disinfection byproducts in the treatment of drinking water and monitoring the impact of Climate Change on the phenolic character of DOM.

Probing the impact of magnetic interactions on the lattice dynamics of two-dimensional Ti2X (X = C, N) MXenes.

PubMed

Sternik, Małgorzata; Wdowik, Urszula D

2018-03-14

Dynamical properties of the two-dimensional Ti 2 C and Ti 2 N MXenes were investigated using density functional theory and discussed in connection with their structures and electronic properties. To elucidate the influence of magnetic interactions on the fundamental properties of these systems, the nonmagnetic, ferromagnetic and three distinct antiferromagnetic spin arrangements on titanium sublattice were considered. Each magnetic configuration was also studied at two directions of the spin magnetic moment with respect to the MXene layer. The zero-point energy motion, following from the phonon calculations, was taken into account while analyzing the energetic stability of the magnetic phases against the nonmagnetic solution. This contribution was found not to change a sequence of the energetic stability of the considered magnetic structures of Ti 2 X (X = C, N) MXenes. Both Ti 2 X (X = C, N) systems are shown to prefer antiferromagnetic arrangement of spins between Ti layers and the ferromagnetic order within each layer. This energetically privileged phase is semiconducting for Ti 2 C and metallic for Ti 2 N. The type of magnetic order as well as the in-plane or out-of-plane spin polarizations have a relatively small impact on the structural parameters, Ti-X bonding length, force constants and phonon spectra of both Ti 2 X systems, leading to observable differences only between the nonmagnetic and any other magnetic configurations. Nonetheless, a noticeable effect of the spin orientation on degeneracy of the Ti-3d orbitals is encountered. The magnetic interactions affect to a great extent the positions and intensities of the Raman-active modes, and hence one could exploit this effect for experimental verification of the theoretically predicted magnetic state of Ti 2 X monolayers. Theoretical phonon spectra of Ti 2 X (X = C, N) MXenes exhibit a linear dependence on energy in the long-wavelength limit, which is typical for a 2D system.

Solution to a gene divergence problem under arbitrary stable nucleotide transition probabilities

NASA Technical Reports Server (NTRS)

Holmquist, R.

1976-01-01

A nucleic acid chain, L nucleotides in length, with the specific base sequence B(1)B(2) ... B(L) is defined by the L-dimensional vector B = (B(1), B(2), ..., B(L)). For twelve given constant non-negative transition probabilities that, in a specified position, the base B is replaced by the base B' in a single step, an exact analytical expression is derived for the probability that the position goes from base B to B' in X steps. Assuming that each base mutates independently of the others, an exact expression is derived for the probability that the initial gene sequence B goes to a sequence B' = (B'(1), B'(2), ..., B'(L)) after X = (X(1), X(2), ..., X(L)) base replacements. The resulting equations allow a more precise accounting for the effects of Darwinian natural selection in molecular evolution than does the idealized (biologically less accurate) assumption that each of the four nucleotides is equally likely to mutate to and be fixed as one of the other three. Illustrative applications of the theory to some problems of biological evolution are given.

CubeSat on an Earth-Mars Free-Return Trajectory to study radiation hazards in the future manned mission

NASA Astrophysics Data System (ADS)

Vannitsen, J.; Segret, B.; Miau, J. J.; Juang, J.-C.

2013-09-01

In order to prepare the Human Mission to Mars, few aspects of the mission still have to be known. During a transit to the Red Planet, future crews will be exposed to potentially hazardous radiations [1]. By using a CubeSat, we can then have a relatively cheap and easy way to improve the radiations environment knowledge for a Mars manned mission. A 1 Unit CubeSat is a type of miniaturized satellite for space research that usually has a volume of exactly one litre (10 cm cube), has a mass of no more than 1.33 kilograms and typically uses commercial off-the-shelf components for its electronics [2]. In this project, it is planned to use a 3 Unit CubeSat having the following dimensions: 10 cm x 10 cm x 30 cm and a maximum mass of 4kg.

Analysis of Wilhelm Ostwald's "Colour Organ" with Raman microspectroscopy

NASA Astrophysics Data System (ADS)

Bridarolli, Alexandra; Atak, Sefkan; Herm, Christoph

2016-11-01

The "Scientific Colour Organ" is a collection of 680 pigment powders, created by the chemist Wilhelm Ostwald in 1925 as a means to represent his colour system. Today, it remains a leading part of colour theory. Analysis of these materials was undertaken to understand how the colour system was realised and to gain indications for preservation of the collection to which it belongs. Dispersive Raman microspectroscopy was applied directly to the powders, as well as using alternative techniques to suppress fluorescence. Barium sulphate was detected in all of the samples with one exception. Portable X-ray fluorescence revealed that this compound was a constituent of lithopone pigment. Raman spectroscopy furthermore revealed synthetic ultramarine (C.I. PB 29) as well as six different synthetic organic pigments and dyes (C.I. PY3; C.I. PO5; C.I. PR81:1; C.I. PV2 and two different triarylmethane dyes). Thin-layer chromatography was applied to determine the exact combination of dyes causing the gradual change in colour of each powder compared to the adjacent samples. With the exception of triarylmethane, the synthetic organic dyes could be identified with Raman spectroscopy directly on the chromatographic plate. The efficiency of thin-layer chromatography combined with Raman spectroscopy for identification of organic pigments could thus be shown. X-ray fluorescence indicated the presence of tungsten-molybdenum lakes in some samples. Comparison of the analytical results to information published by Oswald in 1917 showed that he switched to more light-stable synthetic organic pigments used for his "Scientific Colour Organ".

Casimir force in O(n) systems with a diffuse interface.

PubMed

Dantchev, Daniel; Grüneberg, Daniel

2009-04-01

We study the behavior of the Casimir force in O(n) systems with a diffuse interface and slab geometry infinity;{d-1}xL , where 2infinity limit of O(n) models with antiperiodic boundary conditions applied along the finite dimension L of the film. We observe that the Casimir amplitude Delta_{Casimir}(dmid R:J_{ perpendicular},J_{ parallel}) of the anisotropic d -dimensional system is related to that of the isotropic system Delta_{Casimir}(d) via Delta_{Casimir}(dmid R:J_{ perpendicular},J_{ parallel})=(J_{ perpendicular}J_{ parallel});{(d-1)2}Delta_{Casimir}(d) . For d=3 we derive the exact Casimir amplitude Delta_{Casimir}(3,mid R:J_{ perpendicular},J_{ parallel})=[Cl_{2}(pi3)3-zeta(3)(6pi)](J_{ perpendicular}J_{ parallel}) , as well as the exact scaling functions of the Casimir force and of the helicity modulus Upsilon(T,L) . We obtain that beta_{c}Upsilon(T_{c},L)=(2pi;{2})[Cl_{2}(pi3)3+7zeta(3)(30pi)](J_{ perpendicular}J_{ parallel})L;{-1} , where T_{c} is the critical temperature of the bulk system. We find that the contributions in the excess free energy due to the existence of a diffuse interface result in a repulsive Casimir force in the whole temperature region.

Survey of Network Visualization Tools

DTIC Science & Technology

2007-12-01

Dimensionality • 2D Comments: Deployment Type: • Components for tool building • Standalone Tool OS: • Windows Extensibility • ActiveX ...Visual Basic Comments: Interoperability Daisy is fully compliant with Microsoft’s ActiveX , therefore, other Windows based programs can...other functions that improve analytic decision making. Available in ActiveX , C++, Java, and .NET editions. • Tom Sawyer Visualization: Enables you to

Search for a heavy particle decaying to a top quark and a light quark in pp ¯ collisions at √s=1.96 TeV.

PubMed

Aaltonen, T; Adelman, J; Alvarez González, B; Amerio, S; Amidei, D; Anastassov, A; Annovi, A; Antos, J; Apollinari, G; Appel, J A; Arisawa, T; Artikov, A; Asaadi, J; Ashmanskas, W; Auerbach, B; Aurisano, A; Azfar, F; Badgett, W; Bae, T; Barbaro-Galtieri, A; Barnes, V E; Barnett, B A; Barria, P; Bartos, P; Bauce, M; Bedeschi, F; Behari, S; Bellettini, G; Bellinger, J; Benjamin, D; Beretvas, A; Bhatti, A; Bisello, D; Bizjak, I; Bland, K R; Blumenfeld, B; Bocci, A; Bodek, A; Bortoletto, D; Boudreau, J; Boveia, A; Brigliadori, L; Bromberg, C; Brucken, E; Budagov, J; Budd, H S; Burkett, K; Busetto, G; Bussey, P; Buzatu, A; Calamba, A; Calancha, C; Camarda, S; Campanelli, M; Campbell, M; Canelli, F; Carls, B; Carlsmith, D; Carosi, R; Carrillo, S; Carron, S; Casal, B; Casarsa, M; Castro, A; Catastini, P; Cauz, D; Cavaliere, V; Cavalli-Sforza, M; Cerri, A; Cerrito, L; Chen, Y C; Chertok, M; Chiarelli, G; Chlachidze, G; Chlebana, F; Cho, K; Chokheli, D; Chung, W H; Chung, Y S; Ciocci, M A; Clark, A; Clarke, C; Compostella, G; Convery, M E; Conway, J; Corbo, M; Cordelli, M; Cox, C A; Cox, D J; Crescioli, F; Cuevas, J; Culbertson, R; Dagenhart, D; d'Ascenzo, N; Datta, M; de Barbaro, P; Dell'Orso, M; Demortier, L; Deninno, M; Devoto, F; d'Errico, M; Di Canto, A; Di Ruzza, B; Dittmann, J R; D'Onofrio, M; Donati, S; Dong, P; Dorigo, M; Dorigo, T; Ebina, K; Elagin, A; Eppig, A; Erbacher, R; Errede, S; Ershaidat, N; Eusebi, R; Farrington, S; Feindt, M; Fernandez, J P; Field, R; Flanagan, G; Forrest, R; Frank, M J; Franklin, M; Freeman, J C; Funakoshi, Y; Furic, I; Gallinaro, M; Garcia, J E; Garfinkel, A F; Garosi, P; Gerberich, H; Gerchtein, E; Giagu, S; Giakoumopoulou, V; Giannetti, P; Gibson, K; Ginsburg, C M; Giokaris, N; Giromini, P; Giurgiu, G; Glagolev, V; Glenzinski, D; Gold, M; Goldin, D; Goldschmidt, N; Golossanov, A; Gomez, G; Gomez-Ceballos, G; Goncharov, M; González, O; Gorelov, I; Goshaw, A T; Goulianos, K; Grinstein, S; Grosso-Pilcher, C; Group, R C; Guimaraes da Costa, J; Hahn, S R; Halkiadakis, E; Hamaguchi, A; Han, J Y; Happacher, F; Hara, K; Hare, D; Hare, M; Harr, R F; Hatakeyama, K; Hays, C; Heck, M; Heinrich, J; Herndon, M; Hewamanage, S; Hocker, A; Hopkins, W; Horn, D; Hou, S; Hughes, R E; Hurwitz, M; Husemann, U; Hussain, N; Hussein, M; Huston, J; Introzzi, G; Iori, M; Ivanov, A; James, E; Jang, D; Jayatilaka, B; Jeon, E J; Jindariani, S; Jones, M; Joo, K K; Jun, S Y; Junk, T R; Kamon, T; Karchin, P E; Kasmi, A; Kato, Y; Ketchum, W; Keung, J; Khotilovich, V; Kilminster, B; Kim, D H; Kim, H S; Kim, J E; Kim, M J; Kim, S B; Kim, S H; Kim, Y K; Kim, Y J; Kimura, N; Kirby, M; Klimenko, S; Knoepfel, K; Kondo, K; Kong, D J; Konigsberg, J; Kotwal, A V; Kreps, M; Kroll, J; Krop, D; Kruse, M; Krutelyov, V; Kuhr, T; Kurata, M; Kwang, S; Laasanen, A T; Lami, S; Lammel, S; Lancaster, M; Lander, R L; Lannon, K; Lath, A; Latino, G; Lecompte, T; Lee, E; Lee, H S; Lee, J S; Lee, S W; Leo, S; Leone, S; Lewis, J D; Limosani, A; Lin, C-J; Lindgren, M; Lipeles, E; Lister, A; Litvintsev, D O; Liu, C; Liu, H; Liu, Q; Liu, T; Lockwitz, S; Loginov, A; Lucchesi, D; Lueck, J; Lujan, P; Lukens, P; Lungu, G; Lys, J; Lysak, R; Madrak, R; Maeshima, K; Maestro, P; Malik, S; Manca, G; Manousakis-Katsikakis, A; Margaroli, F; Marino, C; Martínez, M; Mastrandrea, P; Matera, K; Mattson, M E; Mazzacane, A; Mazzanti, P; McFarland, K S; McIntyre, P; McNulty, R; Mehta, A; Mehtala, P; Mesropian, C; Miao, T; Mietlicki, D; Mitra, A; Miyake, H; Moed, S; Moggi, N; Mondragon, M N; Moon, C S; Moore, R; Morello, M J; Morlock, J; Movilla Fernandez, P; Mukherjee, A; Muller, Th; Murat, P; Mussini, M; Nachtman, J; Nagai, Y; Naganoma, J; Nakano, I; Napier, A; Nett, J; Neu, C; Neubauer, M S; Nielsen, J; Nodulman, L; Noh, S Y; Norniella, O; Oakes, L; Oh, S H; Oh, Y D; Oksuzian, I; Okusawa, T; Orava, R; Ortolan, L; Pagan Griso, S; Pagliarone, C; Palencia, E; Papadimitriou, V; Paramonov, A A; Patrick, J; Pauletta, G; Paulini, M; Paus, C; Pellett, D E; Penzo, A; Phillips, T J; Piacentino, G; Pianori, E; Pilot, J; Pitts, K; Plager, C; Pondrom, L; Poprocki, S; Potamianos, K; Prokoshin, F; Pranko, A; Ptohos, F; Punzi, G; Rahaman, A; Ramakrishnan, V; Ranjan, N; Rao, K; Redondo, I; Renton, P; Rescigno, M; Riddick, T; Rimondi, F; Ristori, L; Robson, A; Rodrigo, T; Rodriguez, T; Rogers, E; Rolli, S; Roser, R; Ruffini, F; Ruiz, A; Russ, J; Rusu, V; Safonov, A; Sakumoto, W K; Sakurai, Y; Santi, L; Sato, K; Saveliev, V; Savoy-Navarro, A; Schlabach, P; Schmidt, A; Schmidt, E E; Schwarz, T; Scodellaro, L; Scribano, A; Scuri, F; Seidel, S; Seiya, Y; Semenov, A; Sforza, F; Shalhout, S Z; Shears, T; Shepard, P F; Shimojima, M; Shochet, M; Shreyber-Tecker, I; Simonenko, A; Sinervo, P; Sliwa, K; Smith, J R; Snider, F D; Soha, A; Sorin, V; Song, H; Squillacioti, P; Stancari, M; St Denis, R; Stelzer, B; Stelzer-Chilton, O; Stentz, D; Strologas, J; Strycker, G L; Sudo, Y; Sukhanov, A; Suslov, I; Takemasa, K; Takeuchi, Y; Tang, J; Tecchio, M; Teng, P K; Thom, J; Thome, J; Thompson, G A; Thomson, E; Toback, D; Tokar, S; Tollefson, K; Tomura, T; Tonelli, D; Torre, S; Torretta, D; Totaro, P; Trovato, M; Ukegawa, F; Uozumi, S; Varganov, A; Vázquez, F; Velev, G; Vellidis, C; Vidal, M; Vila, I; Vilar, R; Vizán, J; Vogel, M; Volpi, G; Wagner, P; Wagner, R L; Wakisaka, T; Wallny, R; Wang, S M; Warburton, A; Waters, D; Wester, W C; Whiteson, D; Wicklund, A B; Wicklund, E; Wilbur, S; Wick, F; Williams, H H; Wilson, J S; Wilson, P; Winer, B L; Wittich, P; Wolbers, S; Wolfe, H; Wright, T; Wu, X; Wu, Z; Yamamoto, K; Yamato, D; Yang, T; Yang, U K; Yang, Y C; Yao, W-M; Yeh, G P; Yi, K; Yoh, J; Yorita, K; Yoshida, T; Yu, G B; Yu, I; Yu, S S; Yun, J C; Zanetti, A; Zeng, Y; Zhou, C; Zucchelli, S

2012-05-25

We present a search for a new heavy particle X produced in association with a top quark, pp[over ¯]→t(X→t[over ¯]q) or pp[over ¯]→t[over ¯](X[over ¯]→tq[over ¯]), where q stands for up quarks and down quarks. Such a particle may explain the recent anomalous measurements of top-quark forward-backward asymmetry. If the light-flavor quark (q) is reconstructed as a jet (j), this gives a t[over ¯]+j or t+j resonance in tt[over ¯]+jet events, a previously unexplored experimental signature. In a sample of events with exactly one lepton, missing transverse momentum and at least five jets, corresponding to an integrated luminosity of 8.7 fb(-1) collected by the CDF II detector, we find the data to be consistent with the standard model. We set cross-section upper limits on the production (pp[over ¯]→Xt or X[over ¯]t[over ¯]) at 95% confidence level from 0.61 pb to 0.02 pb for X masses ranging from 200 GeV/c(2) to 800 GeV/c(2), respectively.

Investigating the Effects of Higher Spatial Resolution on Benthic Classification Accuracy at Midway Atoll

DTIC Science & Technology

2008-09-01

2 X Components: 1 Y Components: 1 Product MBR Geographic Coordinates Number of Coordinates: 4 Coordinate: 1 Latitude...bottom (other than live coral) bldgs., docks, etc.) 4. linear reef- B. SHORELINE -INTERTIDAL modifiers 5. pinnacle reef- c. submerged vegetation- sand

Low-frequency phase diagram of irradiated graphene and a periodically driven spin-1/2 X Y chain

NASA Astrophysics Data System (ADS)

Mukherjee, Bhaskar; Mohan, Priyanka; Sen, Diptiman; Sengupta, K.

2018-05-01

We study the Floquet phase diagram of two-dimensional Dirac materials such as graphene and the one-dimensional (1D) spin-1/2 X Y model in a transverse field in the presence of periodic time-varying terms in their Hamiltonians in the low drive frequency (ω ) regime where standard 1 /ω perturbative expansions fail. For graphene, such periodic time-dependent terms are generated via the application of external radiation of amplitude A0 and time period T =2 π /ω , while for the 1D X Y model, they result from a two-rate drive protocol with a time-dependent magnetic field and nearest-neighbor couplings between the spins. Using the adiabatic-impulse method, whose predictions agree almost exactly with the corresponding numerical results in the low-frequency regime, we provide several semianalytic criteria for the occurrence of changes in the topology of the phase bands (eigenstates of the evolution operator U ) of such systems. For irradiated graphene, we point out the role of the symmetries of the instantaneous Hamiltonian H (t ) and the evolution operator U behind such topology changes. Our analysis reveals that at low frequencies, topology changes of irradiated graphene phase bands may also happen at t =T /3 and2 T /3 (apart from t =T ) showing the necessity of analyzing the phase bands of the system for obtaining its phase diagrams. We chart out the phase diagrams at t =T /3 ,2 T /3 ,and T , where such topology changes occur, as a function of A0 and T using exact numerics, and compare them with the prediction of the adiabatic-impulse method. We show that several characteristics of these phase diagrams can be analytically understood from results obtained using the adiabatic-impulse method and point out the crucial contribution of the high-symmetry points in the graphene Brillouin zone to these diagrams. We study the modes that can appear at the edges of a finite-width strip of graphene and show that the change in the number of such modes agrees with the change in the Chern number of bulk graphene as we go across a phase band crossing. Finally, we study the 1D X Y model with a two-rate driving protocol. After studying the symmetries of the system, we use the adiabatic-impulse method and exact numerics to study its phase band crossing which occurs at t =T /2 and k =π /2 . We also study the end modes generated by such a drive and show that there can be anomalous modes whose Floquet eigenvalues are not equal to ±1 . We suggest experiments to test our theory.

Single crystal X-ray diffraction, spectroscopic and mass spectrometric studies of furanocoumarin peucedanin.

PubMed

Bartnik, Magdalena; Arczewska, Marta; Hoser, Anna A; Mroczek, Tomasz; Kamiński, Daniel M; Głowniak, Kazimierz; Gagoś, Mariusz; Woźniak, Krzysztof

2014-01-01

The structure of peucedanin, isolated from Peucedanum tauricum Bieb. (Apiaceae), has been established using single crystal X-ray diffraction. This furanocoumarin isolated from the light petroleum extract of P. tauricum fruits was characterized by high resolution EI-MS, sATR-FTIR and 2D NMR spectroscopic techniques. The EI-MS showed the typical fragmentation pattern of methoxyfuranocoumarins. Extensive 1D (1H and 13C) as well as 2D NMR data enabled complete assignment of the carbon atoms in the peucedanin molecule. The FTIR data confirms intermolecular hydrogen bonding between peucedanin molecules in polar solvents. Peucedanin crystallises in the R-3 space group from the trigonal system with one molecule in the asymmetric part of the unit cell. The crystal lattice of peucedanin consists of the molecules arranged in separate columns. They are related by two fold screw axes and centres of symmetry. Interestingly, peucedanin columns form two channels per unit cell with a diameter of 7.5angstrom going through the crystal lattice in the Z-direction. These channels are filled with disordered water molecules, which are surrounded by hydrophobic methyl groups and are located exactly at the centres of the channels. The peucedanin molecules are stacked in a single column with the opposite orientation of the neighbouring molecules. These results could be interesting in further application of this molecule, for example in biological tests of its activity.

Analysis and Design of Ultra Wide-Band and High-Power Microwave Pulse Interactions With Electronic Circuits and Systems

DTIC Science & Technology

2007-02-28

upset, latch -up or failure of systems of digital components. A digital system can be in many different states, depending on its internal functioning...the Interface between Isorefractive Half-spaces A Y,A0 + B I (c). Cavity-Backed Gap in a Corner (d). A Right-Angle Isorefractive Wedge Structure z LL...ikjI I E2,:, (e) . A +-l l(ii (c). e Ca ity-Backedfraptive MatCoeria (d. BeRgt-Angl Isorefractive Wedge -Structur B V-T A.. D .F V-0 G x V-:x C E Y’-2

A comparison of matrix methods for calculating eigenvalues in acoustically lined ducts

NASA Technical Reports Server (NTRS)

Watson, W.; Lansing, D. L.

1976-01-01

Three approximate methods - finite differences, weighted residuals, and finite elements - were used to solve the eigenvalue problem which arises in finding the acoustic modes and propagation constants in an absorptively lined two-dimensional duct without airflow. The matrix equations derived for each of these methods were solved for the eigenvalues corresponding to various values of wall impedance. Two matrix orders, 20 x 20 and 40 x 40, were used. The cases considered included values of wall admittance for which exact eigenvalues were known and for which several nearly equal roots were present. Ten of the lower order eigenvalues obtained from the three approximate methods were compared with solutions calculated from the exact characteristic equation in order to make an assessment of the relative accuracy and reliability of the three methods. The best results were given by the finite element method using a cubic polynomial. Excellent accuracy was consistently obtained, even for nearly equal eigenvalues, by using a 20 x 20 order matrix.

X-Ray Emission from a Merger Remnant, NGC 7252 (the ``Atoms-for-Peace'' Galaxy)

NASA Astrophysics Data System (ADS)

Awaki, Hisamitsu; Matsumoto, Hironori; Tomida, Hiroshi

2002-03-01

We observed a nearby merger remnant NGC 7252 with the X-ray satellite ASCA and detected X-ray emission with the X-ray flux of (1.8+/-0.3)×10-13 ergs s-1 cm-2 in the 0.5-10 keV band. This corresponds to the X-ray luminosity of 8.1×1040 ergs s-1. The X-ray emission is well described with a two-component model: a soft component with kT=0.72+/-0.13 keV and a hard component with kT>5.1 keV. Although NGC 7252 is referred to as a dynamically young protoelliptical, the 0.5-4 keV luminosity of the soft component is about 2×1040 ergs s-1, which is low for an early-type galaxy. The ratio of LX/LFIR suggests that the soft component originated from the hot gas due to star formation. Its low luminosity can be explained by the gas ejection from the galaxy as galaxy winds. Our observation reveals the existence of hard X-ray emission with the 2-10 keV luminosity of 5.6×1040 ergs s-1. This may indicate the existence of nuclear activity or an intermediate-mass black hole in NGC 7252.

X-Ray diffraction and mu-Raman investigation of the monoclinic-orthorhombic phase transition in Th(1-x)U(x)(C(2)O(4))(2).2H(2)O solid solutions.

PubMed

Clavier, Nicolas; Hingant, Nina; Rivenet, Murielle; Obbade, Saïd; Dacheux, Nicolas; Barré, Nicole; Abraham, Francis

2010-02-15

A complete Th(1-x)U(x)(C(2)O(4))(2).2H(2)O solid solution was prepared by mild hydrothermal synthesis from a mixture of hydrochloric solutions containing cations and oxalic acid. The crystal structure has been solved from twinned single crystals for x = 0, 0.5, and 1 with monoclinic symmetry, space group C2/c, leading to unit cell parameters of a approximately 10.5 A, b approximately 8.5 A, and c approximately 9.6 A. The crystal structure consists of a two-dimensional arrangement of actinide centers connected through bis-bidentate oxalate ions forming squares. The actinide metal is coordinated by eight oxygen atoms from four oxalate entities and two water oxygen atoms forming a bicapped square antiprism. The connection between the layers is assumed by hydrogen bonds between the water molecules and the oxygen of oxalate of an adjacent layer. Under these conditions, the unit cell contains two independent oxalate ions. From high-temperature mu-Raman and X-ray diffraction studies, the compounds were found to undergo a transition to an orthorhombic form (space group Ccca). The major differences in the structural arrangement concern the symmetry of uranium, which decreases from C2 to D2, leading to a unique oxalate group. Consequently, the nu(s)(C-O) double band observed in the Raman spectra recorded at room temperature turned into a singlet. This transformation was then used to make the phase transition temperature more precise as a function of the uranium content of the sample.

Improved method for implicit Monte Carlo

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

Brown, F. B.; Martin, W. R.

2001-01-01

The Implicit Monte Carlo (IMC) method has been used for over 30 years to analyze radiative transfer problems, such as those encountered in stellar atmospheres or inertial confinement fusion. Reference [2] provided an exact error analysis of IMC for 0-D problems and demonstrated that IMC can exhibit substantial errors when timesteps are large. These temporal errors are inherent in the method and are in addition to spatial discretization errors and approximations that address nonlinearities (due to variation of physical constants). In Reference [3], IMC and four other methods were analyzed in detail and compared on both theoretical grounds and themore » accuracy of numerical tests. As discussed in, two alternative schemes for solving the radiative transfer equations, the Carter-Forest (C-F) method and the Ahrens-Larsen (A-L) method, do not exhibit the errors found in IMC; for 0-D, both of these methods are exact for all time, while for 3-D, A-L is exact for all time and C-F is exact within a timestep. These methods can yield substantially superior results to IMC.« less

Black Hole Mass and Spin from the 2:3 Twin-peak QPOs in Microquasars

NASA Astrophysics Data System (ADS)

Mondal, Soumen

2010-01-01

In the Galactic microquasars with double peak kHz quasi-periodic oscillations (QPOs) detected in X-ray fluxes, the ratio of the twin-peak frequencies is exactly, or almost exactly 2:3. This rather strongly supports the fact that they originate a few gravitational radii away from its center due to two modes of accretion disk oscillations. Numerical investigations suggest that post-shock matter, before they settle down in a subsonic branch, execute oscillations in the neighborhood region of "shock transition". This shock may excite QPO mechanism. The radial and vertical epicyclic modes of oscillating matter exactly match with these twin-peak QPOs. In fully general relativistic transonic flows, we investigate that shocks may form very close to the horizon around highly spinning Kerr black holes and appear as extremum in the inviscid flows. The extreme shock location provides upper limit of QPOs and hence fixes "lower cutoff" of the spin. We conclude that the 2:3 ratio exactly occurs for spin parameters a >= 0.87 and almost exactly, for wide range of spin parameter, for example, XTE 1550-564, and GRO 1655-40 a>0.87, GRS 1915+105 a>0.83, XTE J1650-500 a>0.78, and H 1743-322 a>0.68. We also make an effort to measure unknown mass for XTE J1650-500(9.1 ~ 14.1 M sun) and H 1743-322(6.6 ~ 11.3 M sun).

A novel class of plant-specific zinc-dependent DNA-binding protein that binds to A/T-rich DNA sequences

PubMed Central

Nagano, Yukio; Furuhashi, Hirofumi; Inaba, Takehito; Sasaki, Yukiko

2001-01-01

Complementary DNA encoding a DNA-binding protein, designated PLATZ1 (plant AT-rich sequence- and zinc-binding protein 1), was isolated from peas. The amino acid sequence of the protein is similar to those of other uncharacterized proteins predicted from the genome sequences of higher plants. However, no paralogous sequences have been found outside the plant kingdom. Multiple alignments among these paralogous proteins show that several cysteine and histidine residues are invariant, suggesting that these proteins are a novel class of zinc-dependent DNA-binding proteins with two distantly located regions, C-x2-H-x11-C-x2-C-x(4–5)-C-x2-C-x(3–7)-H-x2-H and C-x2-C-x(10–11)-C-x3-C. In an electrophoretic mobility shift assay, the zinc chelator 1,10-o-phenanthroline inhibited DNA binding, and two distant zinc-binding regions were required for DNA binding. A protein blot with 65ZnCl2 showed that both regions are required for zinc-binding activity. The PLATZ1 protein non-specifically binds to A/T-rich sequences, including the upstream region of the pea GTPase pra2 and plastocyanin petE genes. Expression of the PLATZ1 repressed those of the reporter constructs containing the coding sequence of luciferase gene driven by the cauliflower mosaic virus (CaMV) 35S90 promoter fused to the tandem repeat of the A/T-rich sequences. These results indicate that PLATZ1 is a novel class of plant-specific zinc-dependent DNA-binding protein responsible for A/T-rich sequence-mediated transcriptional repression. PMID:11600698

Kinetics and mechanism of the oxidation process of two-component Fe-Al alloys

NASA Technical Reports Server (NTRS)

Przewlocka, H.; Siedlecka, J.

1982-01-01

The oxidation process of two-component Fe-Al alloys containing up to 7.2% Al and from 18 to 30% Al was studied. Kinetic measurements were conducted using the isothermal gravimetric method in the range of 1073-1223 K and 1073-1373 K for 50 hours. The methods used in studies of the mechanism of oxidation included: X-ray microanalysis, X-ray structural analysis, metallographic analysis and marker tests.

Cohen's Linearly Weighted Kappa Is a Weighted Average of 2 x 2 Kappas

ERIC Educational Resources Information Center

Warrens, Matthijs J.

2011-01-01

An agreement table with [n as an element of N is greater than or equal to] 3 ordered categories can be collapsed into n - 1 distinct 2 x 2 tables by combining adjacent categories. Vanbelle and Albert ("Stat. Methodol." 6:157-163, 2009c) showed that the components of Cohen's weighted kappa with linear weights can be obtained from these n - 1…

The Two-Phase, Two-Velocity Ionized Absorber in the Seyfert 1 Galaxy NGC 5548

NASA Astrophysics Data System (ADS)

Andrade-Velázquez, Mercedes; Krongold, Yair; Elvis, Martin; Nicastro, Fabrizio; Brickhouse, Nancy; Binette, Luc; Mathur, Smita; Jiménez-Bailón, Elena

2010-03-01

We present an analysis of X-ray high-quality grating spectra of the Seyfert 1 galaxy NGC 5548 using archival Chandra-High Energy Transmission Grating Spectrometer and Low Energy Transmission Grating Spectrometer observations for a total exposure time of 800 ks. The continuum emission (between 0.2 keV and 8 keV) is well represented by a power law (Γ = 1.6) plus a blackbody component (kT = 0.1 keV). We find that the well-known X-ray warm absorber (WA) in this source consists of two different outflow velocity systems. One absorbing system has a velocity of -1110 ± 150 km s-1 and the other of -490 ± 150 km s-1. Recognizing the presence of these kinematically distinct components allows each system to be fitted independently, each with two absorption components with different ionization levels. The high-velocity system consists of two components, one with a temperature of 2.7 ± 0.6 × 106 K, log U = 1.23, and another with a temperature of 5.8 ± 1.0 × 105 K, log U = 0.67. The high-velocity, high-ionization component produces absorption by charge states Fe XXI-XXIV, while the high-velocity, low-ionization component produces absorption by Ne IX-X, Fe XVII-XX, and O VII-VIII. The low-velocity system also required two absorbing components, one with a temperature of 5.8 ± 0.8 × 105 K, log U = 0.67, producing absorption by Ne IX-X, Fe XVII-XX, and O VII-VIII, and the other with a lower temperature of 3.5 ± 0.35 × 104 K and a lower ionization of log U = -0.49, producing absorption by O VI-VII and the Fe VII-XII M-shell Unresolved Transitions Array. Once these components are considered, the data do not require any further absorbers. In particular, a model consisting of a continuous radial range of ionization structures (as suggested by a previous analysis) is not required. The two absorbing components in each velocity system are in pressure equilibrium with each other. This suggests that each velocity system consists of a multi-phase medium. This is the first time that different outflow velocity systems have been modeled independently in the X-ray band for this source. The kinematic components and column densities found from the X-rays are in agreement with the main kinematic components found in the UV absorber. This supports the idea that the UV and X-ray absorbing gas is part of the same phenomenon. NGC 5548 can now be seen to fit in a pattern established for other WAs: two or three discrete phases in pressure equilibrium. There are no remaining cases of a well-studied WA in which a model consisting of a multi-phase medium is not viable.

A gauge-independent zeroth-order regular approximation to the exact relativistic Hamiltonian—Formulation and applications

NASA Astrophysics Data System (ADS)

Filatov, Michael; Cremer, Dieter

2005-01-01

A simple modification of the zeroth-order regular approximation (ZORA) in relativistic theory is suggested to suppress its erroneous gauge dependence to a high level of approximation. The method, coined gauge-independent ZORA (ZORA-GI), can be easily installed in any existing nonrelativistic quantum chemical package by programming simple one-electron matrix elements for the quasirelativistic Hamiltonian. Results of benchmark calculations obtained with ZORA-GI at the Hartree-Fock (HF) and second-order Møller-Plesset perturbation theory (MP2) level for dihalogens X2 (X=F,Cl,Br,I,At) are in good agreement with the results of four-component relativistic calculations (HF level) and experimental data (MP2 level). ZORA-GI calculations based on MP2 or coupled-cluster theory with single and double perturbations and a perturbative inclusion of triple excitations [CCSD(T)] lead to accurate atomization energies and molecular geometries for the tetroxides of group VIII elements. With ZORA-GI/CCSD(T), an improved estimate for the atomization energy of hassium (Z=108) tetroxide is obtained.

High-durability surface-discharge flash x-ray tube driven by a two-stage Marx pulser

NASA Astrophysics Data System (ADS)

Shikoda, Arimitsu; Sato, Eiichi; Kimura, Shingo; Oizumi, Teiji; Tamakawa, Yoshiharu; Yanagisawa, Toru

1993-02-01

We developed a high-durability flash x-ray tube with a plate-shaped ferrite cathode for the use in the field of biomedical engineering and technology. The surface-discharge cathode was very useful for generating stable flash x rays. This flash x-ray generator consisted of the following essential components: a high-voltage power supply, an energy-storage condenser of 97 nF, a two-stage Marx type pulser, an oil diffusion pump, and a flash x-ray tube. This x-ray tube was of a diode which was connected to the turbo molecular pump and had plate-shaped anode and cathode electrodes. The cathode electrode was made of ferrite, and its edge was covered with a thin gold film by means of the spattering in order to decrease contact resistance. The space between the anode and cathode electrodes could be regulated from the outside of the x-ray rube. The two condensers in Marx circuit were charged from 50 to 70 kV by a power supply, and the condensers were connected in series after closing a gap switch. Thus the maximum output voltages from the pulser were about two times the charged voltages. In this experiment, the maximum tube voltage and the current were about 110 kV and 0.8 kA, respectively. The pulse widths were less than 140 ns, and the maximum x-ray intensity was 1.27 (mu) C/kg at 0.5 m per pulse. The size of the focal spot and the maximum repetition rate were about 2 X 2.5 mm and 50 Hz (fps), respectively.

J-2X powerpack

NASA Image and Video Library

2012-12-13

The J-2X powerpack assembly was fired up one last time on Dec. 13 at NASA's John C. Stennis Space Center in Mississippi, finishing a year of testing on an important component of America's next heavy-lift rocket. The powerpack assembly burned millions of pounds of propellants during a series of 13 tests during 2012 totaling more than an hour and a half.

Photoinduced Intramolecular Bifurcate Hydrogen Bond: Unusual Mutual Influence of the Components.

PubMed

Sigalov, Mark V; Shainyan, Bagrat A; Sterkhova, Irina V

2017-09-01

A series of 7-hydroxy-2-methylidene-2,3-dihydro-1H-inden-1-ones with 2-pyrrolyl (3), 4-dimethylaminophenyl (4), 4-nitrophenyl (5), and carboxyl group (6) as substituents at the exocyclic double bond was synthesized in the form of the E-isomers (4-6) or predominantly as the Z-isomer (3) which in solution is converted to the E-isomer. The synthesized compounds and their model analogues were studied by NMR spectroscopy, X-ray analysis, and MP2 theoretical calculations. The E-isomers having intramolecular O-H···O═C hydrogen bond are converted by UV irradiation to the Z-isomers having bifurcated O-H···O···H-X hydrogen bond. Unexpected shortening (and, thus, strengthening) of the O-H···O═C component of the bifurcated hydrogen bond upon the formation of the C═O···H-X hydrogen bond was found experimentally, proved theoretically (MP2), and explained by a roundabout interaction of the H-donor (HX) and H-acceptor (C═O) via the system of conjugated bonds.

Hydrothermal formation of tobermorite studied by in situ X-ray diffraction under autoclave condition.

PubMed

Kikuma, Jun; Tsunashima, Masamichi; Ishikawa, Tetsuji; Matsuno, Shin-ya; Ogawa, Akihiro; Matsui, Kunio; Sato, Masugu

2009-09-01

Hydrothermal formation of tobermorite from a pre-cured cake has been investigated by transmission X-ray diffraction (XRD) using high-energy X-rays from a synchrotron radiation source in combination with a newly designed autoclave cell. The autoclave cell has a large and thin beryllium window for wide-angle X-ray diffraction; nevertheless, it withstands a steam pressure of more than 1.2 MPa, which enables in situ XRD measurements in a temperature range of 373 to 463 K under a saturated steam pressure. Formation and/or decomposition of several components has been successfully observed during 7.5 h of reaction time. From the intensity changes of the intermediate materials, namely non-crystalline C-S-H and hydroxylellestadite, two pathways for tobermorite formation have been confirmed. Thus, the newly developed autoclave cell can be used for the analyses of reaction mechanisms under specific atmospheres and temperatures.

An ASCA observation of the Castor system

NASA Technical Reports Server (NTRS)

Gotthelf, Eric V.; Jalota, Lalit; Mukai, Koji; White, Nicholas E.

1994-01-01

We report on a day-long ASCA broadband (1-10 keV) spectro-imaging observation of the X-ray emission from the Castor multibinary system. Significant flares were detected from both the flare star system YY Gem (Castor C) and from Castor AB located 73 sec away. Using an optimal viewing geometry and image restoration techniques, we are able to spatially resolve the emission from the two X-ray components. Broadband flare activity from Castor AB is confirmed, and quiescent flux is detected. The quiescent spectrum of YY Gem is a complex blend of emission lines across the ASCA bandpass which requires multitemperature components or two-temperature variable metal-poor abundances (approximately 5-10 below solar) to obtain a satisfactory fit to both the Mewe-Kaastra and Raymond-Smith models. The flare spectrum is consistent with an increase in the emissivity of the hotter component.

Robustness of a network formed by n interdependent networks with a one-to-one correspondence of dependent nodes.

PubMed

Gao, Jianxi; Buldyrev, S V; Havlin, S; Stanley, H E

2012-06-01

Many real-world networks interact with and depend upon other networks. We develop an analytical framework for studying a network formed by n fully interdependent randomly connected networks, each composed of the same number of nodes N. The dependency links connecting nodes from different networks establish a unique one-to-one correspondence between the nodes of one network and the nodes of the other network. We study the dynamics of the cascades of failures in such a network of networks (NON) caused by a random initial attack on one of the networks, after which a fraction p of its nodes survives. We find for the fully interdependent loopless NON that the final state of the NON does not depend on the dynamics of the cascades but is determined by a uniquely defined mutual giant component of the NON, which generalizes both the giant component of regular percolation of a single network (n=1) and the recently studied case of the mutual giant component of two interdependent networks (n=2). We also find that the mutual giant component does not depend on the topology of the NON and express it in terms of generating functions of the degree distributions of the network. Our results show that, for any n≥2 there exists a critical p=p(c)>0 below which the mutual giant component abruptly collapses from a finite nonzero value for p≥p(c) to zero for p2, a RR NON is stable for any n with p(c)<1). This results arises from the critical role played by singly connected nodes which exist in an ER NON and enhance the cascading failures, but do not exist in a RR NON.

Abelian and non-Abelian states in ν = 2 / 3 bilayer fractional quantum Hall systems

NASA Astrophysics Data System (ADS)

Peterson, Michael; Wu, Yang-Le; Cheng, Meng; Barkeshli, Maissam; Wang, Zhenghan

There are several possible theoretically allowed non-Abelian fractional quantum Hall (FQH) states that could potentially be realized in one- and two-component FQH systems at total filling fraction ν = n + 2 / 3 , for integer n. Some of these states even possess quasiparticles with non-Abelian statistics that are powerful enough for universal topological quantum computation, and are thus of particular interest. Here we initiate a systematic numerical study, using both exact diagonalization and variational Monte Carlo, to investigate the phase diagram of FQH systems at total filling fraction ν = n + 2 / 3 , including in particular the possibility of the non-Abelian Z4 parafermion state. In ν = 2 / 3 bilayers we determine the phase diagram as a function of interlayer tunneling and repulsion, finding only three competing Abelian states, without the Z4 state. On the other hand, in single-component systems at ν = 8 / 3 , we find that the Z4 parafermion state has significantly higher overlap with the exact ground state than the Laughlin state, together with a larger gap, suggesting that the experimentally observed ν = 8 / 3 state may be non-Abelian. Our results from the two complementary numerical techniques agree well with each other qualitatively. We acknowledge the Office of Research and Sponsored Programs at California State University Long Beach and Microsoft Station Q.

[Carbon sequestration status of forest ecosystems in Ningxia Hui Autonomous Region].

PubMed

Gao, Yang; Jin, Jing-Wei; Cheng, Ji-Min; Su, Ji-Shuai; Zhu, Ren-Bin; Ma, Zheng-Rui; Liu, Wei

2014-03-01

Based on the data of Ningxia Hui Autonomous Region forest resources inventory, field investigation and laboratory analysis, this paper studied the carbon sequestration status of forest ecosystems in Ningxia region, estimated the carbon density and storage of forest ecosystems, and analyzed their spatial distribution characteristics. The results showed that the biomass of each forest vegetation component was in the order of arbor layer (46.64 Mg x hm(-2)) > litterfall layer (7.34 Mg x hm(-2)) > fine root layer (6.67 Mg x hm(-2)) > shrub-grass layer (0.73 Mg x hm(-2)). Spruce (115.43 Mg x hm(-2)) and Pinus tabuliformis (94.55 Mg x hm(-2)) had higher vegetation biomasses per unit area than other tree species. Over-mature forest had the highest arbor carbon density among the forests with different ages. However, the young forest had the highest arbor carbon storage (1.90 Tg C) due to its widest planted area. Overall, the average carbon density of forest ecosystems in Ningxia region was 265.74 Mg C x hm(-2), and the carbon storage was 43.54 Tg C. Carbon density and storage of vegetation were 27.24 Mg C x hm(-2) and 4.46 Tg C, respectively. Carbon storage in the soil was 8.76 times of that in the vegetation. In the southern part of Ningxia region, the forest carbon storage was higher than in the northern part, where the low C storage was mainly related to the small forest area and young forest age structure. With the improvement of forest age structure and the further implementation of forestry ecoengineering, the forest ecosystems in Ningxia region would achieve a huge carbon sequestration potential.

Product of Ginibre matrices: Fuss-Catalan and Raney distributions

NASA Astrophysics Data System (ADS)

Penson, Karol A.; Życzkowski, Karol

2011-06-01

Squared singular values of a product of s square random Ginibre matrices are asymptotically characterized by probability distributions Ps(x), such that their moments are equal to the Fuss-Catalan numbers of order s. We find a representation of the Fuss-Catalan distributions Ps(x) in terms of a combination of s hypergeometric functions of the type sFs-1. The explicit formula derived here is exact for an arbitrary positive integer s, and for s=1 it reduces to the Marchenko-Pastur distribution. Using similar techniques, involving the Mellin transform and the Meijer G function, we find exact expressions for the Raney probability distributions, the moments of which are given by a two-parameter generalization of the Fuss-Catalan numbers. These distributions can also be considered as a two-parameter generalization of the Wigner semicircle law.

Product of Ginibre matrices: Fuss-Catalan and Raney distributions.

PubMed

Penson, Karol A; Zyczkowski, Karol

2011-06-01

Squared singular values of a product of s square random Ginibre matrices are asymptotically characterized by probability distributions P(s)(x), such that their moments are equal to the Fuss-Catalan numbers of order s. We find a representation of the Fuss-Catalan distributions P(s)(x) in terms of a combination of s hypergeometric functions of the type (s)F(s-1). The explicit formula derived here is exact for an arbitrary positive integer s, and for s=1 it reduces to the Marchenko-Pastur distribution. Using similar techniques, involving the Mellin transform and the Meijer G function, we find exact expressions for the Raney probability distributions, the moments of which are given by a two-parameter generalization of the Fuss-Catalan numbers. These distributions can also be considered as a two-parameter generalization of the Wigner semicircle law.

The Role of Ambient Gas and Pressure on the Structuring of Hard Diamond-Like Carbon Films Synthesized by Pulsed Laser Deposition

PubMed Central

Popescu, Andrei C.; Stan, George E.; Duta, Liviu; Nita, Cristina; Popescu, Camelia; Surdu, Vasile-Adrian; Husanu, Marius-Adrian; Bita, Bogdan; Ghisleni, Rudy; Himcinschi, Cameliu; Craciun, Valentin

2015-01-01

Hard carbon thin films were synthesized on Si (100) and quartz substrates by the Pulsed Laser Deposition (PLD) technique in vacuum or methane ambient to study their suitability for applications requiring high mechanical resistance. The deposited films’ surface morphology was investigated by scanning electron microscopy, crystalline status by X-ray diffraction, packing and density by X-ray reflectivity, chemical bonding by Raman and X-ray photoelectron spectroscopy, adherence by “pull-out” measurements and mechanical properties by nanoindentation tests. Films synthesized in vacuum were a-C DLC type, while films synthesized in methane were categorized as a-C:H. The majority of PLD films consisted of two layers: one low density layer towards the surface and a higher density layer in contact with the substrate. The deposition gas pressure played a crucial role on films thickness, component layers thickness ratio, structure and mechanical properties. The films were smooth, amorphous and composed of a mixture of sp3-sp2 carbon, with sp3 content ranging between 50% and 90%. The thickness and density of the two constituent layers of a film directly determined its mechanical properties.

Quantification of process variables for carbothermic synthesis of UC 1-xN x fuel microspheres

DOE PAGES

Lindemer, Terrance B.; Silva, Chinthaka M.; Henry, Jr, John James; ...

2016-11-05

This report details the continued investigation of process variables involved in converting sol-gel-derived, urania-carbon microspheres to ~820-μm-dia. UC 1-xN x fuel kernels in flow-through, vertical Mo and W crucibles at temperatures up to 2123 K. Experiments included calcining of air-dried UO 3-H 2O-C microspheres in Ar and H 2-containing gases, conversion of the resulting UO 2-C kernels to dense UO2:2UC in the same gases and vacuum, and its conversion in N 2 to UC 1-xN x (x = ~0.85). The thermodynamics of the relevant reactions were applied extensively to interpret and control the process variables. Producing the precursor UO 2:2UCmore » kernel of ~96% theoretical density was required, but its subsequent conversion to UC 1-xN x at 2123 K was not accompanied by sintering and resulted in ~83-86% of theoretical density. Increasing the UC 1-xN x kernel nitride component to ~0.98 in flowing N 2-H 2 mixtures to evolve HCN was shown to be quantitatively consistent with present and past experiments and the only useful application of H 2 in the entire process.« less

Flexible and conductive MXene films and nanocomposites with high capacitance

DOE PAGES

Ling, Zheng; Ren, Chang E.; Zhao, Meng-Qiang; ...

2014-11-11

MXenes, a new family of 2D materials, combine hydrophilic surfaces with metallic conductivity. Delamination of MXene produces single-layer nanosheets with thickness of about a nanometer and lateral size of the order of micrometers. The high aspect ratio of delaminated MXene renders it promising nanofiller in multifunctional polymer nanocomposites. In this study, Ti 3C 2T x MXene was mixed with either a charged polydiallyldimethylammonium chloride (PDDA) or an electrically neutral polyvinyl alcohol (PVA) to produce Ti 3C 2T x/polymer composites. The as-fabricated composites are flexible and have electrical conductivities as high as 2.2 × 10 4 S/m in the case ofmore » the Ti 3C 2T x/PVA composite film and 2.4 × 10 5 S/m for pure Ti 3C 2T x films. The tensile strength of the Ti 3C 2T x/PVA composites was significantly enhanced compared with pure Ti 3C 2T x or PVA films. The intercalation and confinement of the polymer between the MXene flakes not only increased flexibility but also enhanced cationic intercalation, offering an impressive volumetric capacitance of ~530 F/cm 3 for MXene/PVA-KOH composite film at 2 mV/s. Finally, to our knowledge, this study is a first, but crucial, step in exploring the potential of using MXenes in polymer-based multifunctional nanocomposites for a host of applications, such as structural components, energy storage devices, wearable electronics, electrochemical actuators, and radiofrequency shielding, to name a few.« less

The Kinetic Nonequilibrium Processes in the Internal Flow and in the Plume of Subsonic and Supersonic Aircrafts

NASA Technical Reports Server (NTRS)

Starik, Alexander M.

1997-01-01

(1) Our results show that under combustion of thermal destruction products of n-C8H18, and other hydrocarbon fuels with air at the equivalent ratio -0.5 and less the chemical equilibrium is not realized at the exit plane of combustion chamber and in the gas turbine and nozzle for most of small components such as NO2, NO3, HNO, HNO2, HNO3, N(x)H(y), HO2, OH. The chemical equilibrium is not realized in the internal flow of ramjet hydrogen combustion engine too. So at the nozzle exit plane both of gas-turbine hydrocarbon combustion engine and of ramjet hydrogen combustion engine the relatively large values of concentration of such small components as NO3, HNO2, N2O, HNO3, HNO, NH, N2H, HO2, H2O2 may be realized. The exact definition of these component concentration as well as concentration of NO(x), OH, SO2, O, H, H2, H2O at the nozzle exit plane is very important for plume chemistry. (2) The results which were obtained for subsonic and hypersonic aircrafts indicate on the considerable change of the composition of the gas mixture along the plume. This change can be caused not only by the mixture of combustion products with the atmosphere air but by proceeding of whole complex of nonequilibrium photochemical reactions. The photodissociation processes begin to influence on the formation of the free atoms and radicals at flight altitude H greater than or equal to 18 km. Neglect of these processes can result in essential (up to 10(exp 4) times) mistakes of values gamma(sub OH), gamma(sub O), gamma(sub H), gamma(sub HSO3) and some products of CFC's disintegration. It was found that penetration of Cl-containing species from the atmosphere into the exhaust flow and its interaction with nitrogen oxides leads to essential increasing of the concentration of Cl, Cl2, ClO2, ClNO3, CH3Cl and sometimes HCl and the decreasing of ClO concentration by comparison with background values. The results of our analysis show that the plume aircraft with both hydrocarbon and hydrogen combustion engine may be source of various pollutant components such as HNO, HNO4,ClO2, CH3NO2, CH3NO3, CH2O, Cl, H2O2, but not only NO, NO2, HNO2, HNO3, N2O5, SO2, SO3, H2SO4 as it was supposed before.

Patch planting of hard spin-glass problems: Getting ready for the next generation of optimization approaches

NASA Astrophysics Data System (ADS)

Wang, Wenlong; Mandrà, Salvatore; Katzgraber, Helmut

We propose a patch planting heuristic that allows us to create arbitrarily-large Ising spin-glass instances on any topology and with any type of disorder, and where the exact ground-state energy of the problem is known by construction. By breaking up the problem into patches that can be treated either with exact or heuristic solvers, we can reconstruct the optimum of the original, considerably larger, problem. The scaling of the computational complexity of these instances with various patch numbers and sizes is investigated and compared with random instances using population annealing Monte Carlo and quantum annealing on the D-Wave 2X quantum annealer. The method can be useful for benchmarking of novel computing technologies and algorithms. NSF-DMR-1208046 and the Office of the Director of National Intelligence (ODNI), Intelligence Advanced Research Projects Activity (IARPA), via MIT Lincoln Laboratory Air Force Contract No. FA8721-05-C-0002.

[Analytic methods for seed models with genotype x environment interactions].

PubMed

Zhu, J

1996-01-01

Genetic models with genotype effect (G) and genotype x environment interaction effect (GE) are proposed for analyzing generation means of seed quantitative traits in crops. The total genetic effect (G) is partitioned into seed direct genetic effect (G0), cytoplasm genetic of effect (C), and maternal plant genetic effect (Gm). Seed direct genetic effect (G0) can be further partitioned into direct additive (A) and direct dominance (D) genetic components. Maternal genetic effect (Gm) can also be partitioned into maternal additive (Am) and maternal dominance (Dm) genetic components. The total genotype x environment interaction effect (GE) can also be partitioned into direct genetic by environment interaction effect (G0E), cytoplasm genetic by environment interaction effect (CE), and maternal genetic by environment interaction effect (GmE). G0E can be partitioned into direct additive by environment interaction (AE) and direct dominance by environment interaction (DE) genetic components. GmE can also be partitioned into maternal additive by environment interaction (AmE) and maternal dominance by environment interaction (DmE) genetic components. Partitions of genetic components are listed for parent, F1, F2 and backcrosses. A set of parents, their reciprocal F1 and F2 seeds is applicable for efficient analysis of seed quantitative traits. MINQUE(0/1) method can be used for estimating variance and covariance components. Unbiased estimation for covariance components between two traits can also be obtained by the MINQUE(0/1) method. Random genetic effects in seed models are predictable by the Adjusted Unbiased Prediction (AUP) approach with MINQUE(0/1) method. The jackknife procedure is suggested for estimation of sampling variances of estimated variance and covariance components and of predicted genetic effects, which can be further used in a t-test for parameter. Unbiasedness and efficiency for estimating variance components and predicting genetic effects are tested by Monte Carlo simulations.

Approximate theoretical model for the five electronic states ( Ω = 5/2, 3/2, 3/2, 1/2, 1/2) arising from the ground 3d 9 configuration in nickel halide molecules and for rotational levels of the two Ω = 1/2 states in that manifold

NASA Astrophysics Data System (ADS)

Hougen, Jon T.

2011-05-01

In the first part of this paper an effective Hamiltonian for a non-rotating diatomic molecule containing only crystal-field and spin-orbit operators is set up to describe the energies of the five spin-orbit components that arise in the ground electronic configuration of the nickel monohalides. The model assumes that bonding in the nickel halides has the approximate form Ni +X -, with an electronic 3d 9 configuration plus closed shells on the Ni + moiety and a closed shell configuration on the X - moiety. From a crystal-field point of view, interactions of the positive d-hole with the cylindrically symmetrical electric charge distribution of the hypothetical NiX - closed-shell core can then be parameterized by three terms in a traditional expansion in spherical harmonics: C0 + C2Y20( θ, ϕ) + C4Y40( θ, ϕ). Interaction of the hole with the magnetic field generated by its own orbital motion can be parameterized by a traditional spin-orbit interaction operator A L · S. The Hamiltonian matrix is set up in a basis set consisting of the 10 Hund's case (a) basis functions | L, Λ; S , Σ> that arise when L = 2 and S = 1/2. Least-squares fits of the observed five spin-orbit components of the three lowest electronic states in NiF and NiCl are then carried out in terms of the four parameters C0, C2, C4, and A which lead to good agreement, except for the two | Ω| = 1/2 states. The large equal and opposite residuals of the | Ω| = 1/2 states can be reduced to values comparable with those for the | Ω| = 3/2 and | Ω| = 5/2 states by fixing A to its value in Ni + and then introducing an empirical correction factor for one off-diagonal orbital matrix element. In the second part of this paper the usual effective Hamiltonian B( J- L- S) 2 for a rotating diatomic molecule is used to derive expressions for the Ω-type doubling parameter p in the two | Ω| = 1/2 states. These expressions show (for certain sign conventions) that the sum of the two p values should be -2 B, but that their difference can vary between -10 B and +10 B. These theoretical results are in good agreement with the two observed p values for both NiF and NiCl. The present formalism should in principle be applicable to NiBr and NiI, and to the halides of palladium, since Pd + has a well isolated 4d 9 electronic ground configuration. Extension to metal halides having d n configurations with n < 9, or to platinum halides may present difficulties, since manifolds from the d n and d n-1s configurations may be heavily mixed, thus requiring "too many" parameters in the electronic part of the problem. Application to linear triatomic molecules may also present problems because of the large number of vibronic perturbations made possible by their four vibrational degrees of freedom.

Four cells or two? Are four convection cells really necessary?

NASA Technical Reports Server (NTRS)

Reiff, P. H.; Heelis, R. A.

1994-01-01

This paper addresses the question whether a four-cell convection pattern in the polar cap ionosphere is required by observations, or whether the data are fully explainable by a (perhaps highly distorted) two-cell convection pattern. We present convection data from Atmosphere Explorer C, which, if only the flow component in the sunward-antisunward direction were measured, could be explained either as one of two possible distorted two-cell patterns or as a full four-cell pattern. However, neither of the distorted two-cell patterns that are consistent with the sunward-antisunward flow component can be made consistent with the dawn-dusk flow component over the entire spacecraft trajectory, without postulating a severe flow kink and extra field-aligned currents sunward of the spacecraft track. In addition, the zero potential point (which in a four-cell model would mark the division between the two reverse convection cells) also exactly corresponded to the location of the reversal of the east-west component in the flow, a feature predicted from the four-cell model but more difficult to explain in a distorted two-cell model. Because the pattern was repeated on two consecutive passes, time variations can probably be ruled out as a cause of the sunward flow. Between the two northern hemisphere dayside passes, a southern hemisphere nightside pass also showed a region of sunward flow in the polar cap. The fact that in this case the sunward flow was not confined to the dayside also favors a four-cell explanation.

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

Rana, Vikram; Harrison, Fiona A.; Walton, Dominic J.

We present results for two ultraluminous X-ray sources (ULXs), IC 342 X-1 and IC 342 X-2, using two epochs of XMM-Newton and NuSTAR observations separated by ∼7 days. We observe little spectral or flux variability above 1 keV between epochs, with unabsorbed 0.3-30 keV luminosities being 1.04{sub −0.06}{sup +0.08}×10{sup 40} erg s{sup –1} for IC 342 X-1 and 7.40 ± 0.20 × 10{sup 39} erg s{sup –1} for IC 342 X-2, so that both were observed in a similar, luminous state. Both sources have a high absorbing column in excess of the Galactic value. Neither source has a spectrum consistent with a black hole binary in low/hard state, and both ULXsmore » exhibit strong curvature in their broadband X-ray spectra. This curvature rules out models that invoke a simple reflection-dominated spectrum with a broadened iron line and no cutoff in the illuminating power-law continuum. X-ray spectrum of IC 342 X-1 can be characterized by a soft disk-like blackbody component at low energies and a cool, optically thick Comptonization continuum at high energies, but unique physical interpretation of the spectral components remains challenging. The broadband spectrum of IC 342 X-2 can be fit by either a hot (3.8 keV) accretion disk or a Comptonized continuum with no indication of a seed photon population. Although the seed photon component may be masked by soft excess emission unlikely to be associated with the binary system, combined with the high absorption column, it is more plausible that the broadband X-ray emission arises from a simple thin blackbody disk component. Secure identification of the origin of the spectral components in these sources will likely require broadband spectral variability studies.« less

Derived Manding in Children with Autism: Synthesizing Skinner's Verbal Behavior with Relational Frame Theory

PubMed Central

2005-01-01

Mand functions for two stimuli (A1 and A2) were trained for 3 children with autism and were then incorporated into two related conditional discriminations (A1-B1/A2 -B2 and B1-C1/B2-C2). Tests were conducted to probe for a derived transfer of mand response functions from A1 and A2 to C1 and C2, respectively. When 1 participant failed to demonstrate derived transfer of mand response functions, transfer training using exemplars was conducted. When participants had demonstrated derived transfer of mand functions, the X1 and X2 tokens that were employed as reinforcers for mand responses were incorporated into two conditional discriminations (X1-Y1/X2-Y2 and Y1-Z1/Y2-Z2). Tests were conducted for derived transfer of reinforcing functions. Finally, tests were conducted to determine if the participants would demonstrate derived manding for the derived reinforcers (present C1 and C2 to mand for Z1 and Z2, respectively). Derived transfer of functions was observed when the sequence of training and testing was reversed (i.e., training and testing reinforcing functions before mand response functions) and when only minimal instructions were provided. PMID:16463526

Intermolecular interactions of trifluorohalomethanes with Lewis bases in the gas phase: An ab initio study

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

Wang, Yi-Siang; Yin, Chih-Chien; Chao, Sheng D., E-mail: sdchao@spring.iam.ntu.edu.tw

2014-10-07

We perform an ab initio computational study of molecular complexes with the general formula CF{sub 3}X—B that involve one trifluorohalomethane CF{sub 3}X (X = Cl or Br) and one of a series of Lewis bases B in the gas phase. The Lewis bases are so chosen that they provide a range of electron-donating abilities for comparison. Based on the characteristics of their electron pairs, we consider the Lewis bases with a single n-pair (NH{sub 3} and PH{sub 3}), two n-pairs (H{sub 2}O and H{sub 2}S), two n-pairs with an unsaturated bond (H{sub 2}CO and H{sub 2}CS), and a single π-pairmore » (C{sub 2}H{sub 4}) and two π-pairs (C{sub 2}H{sub 2}). The aim is to systematically investigate the influence of the electron pair characteristics and the central atom substitution effects on the geometries and energetics of the formed complexes. The counterpoise-corrected supermolecule MP2 and coupled-cluster single double with perturbative triple [CCSD(T)] levels of theory have been employed, together with a series of basis sets up to aug-cc-pVTZ. The angular and radial configurations, the binding energies, and the electrostatic potentials of the stable complexes have been compared and discussed as the Lewis base varies. For those complexes where halogen bonding plays a significant role, the calculated geometries and energetics are consistent with the σ-hole model. Upon formation of stable complexes, the C–X bond lengths shorten, while the C–X vibrational frequencies increase, thus rendering blueshifting halogen bonds. The central atom substitution usually enlarges the intermolecular bond distances while it reduces the net charge transfers, thus weakening the bond strengths. The analysis based on the σ-hole model is grossly reliable but requires suitable modifications incorporating the central atom substitution effects, in particular, when interaction components other than electrostatic contributions are involved.« less

Fluctuation-induced transport of two coupled particles: effect of the interparticle interaction.

PubMed

Makhnovskii, Yurii A; Rozenbaum, Viktor M; Sheu, Sheh-Yi; Yang, Dah-Yen; Trakhtenberg, Leonid I; Lin, Sheng Hsien

2014-06-07

We consider a system of two coupled particles fluctuating between two states, with different interparticle interaction potentials and particle friction coefficients. An external action drives the interstate transitions that induces reciprocating motion along the internal coordinate x (the interparticle distance). The system moves unidirectionally due to rectification of the internal motion by asymmetric friction fluctuations and thus operates as a dimeric motor that converts input energy into net movement. We focus on how the law of interaction between the particles affects the dimer transport and, in particular, the role of thermal noise in the motion inducing mechanism. It is argued that if the interaction potential behaves at large distances as x(α), depending on the value of the exponent α, the thermal noise plays a constructive (α > 2), neutral (α = 2), or destructive (α < 2) role. In the case of α = 1, corresponding piecewise linear potential profiles, an exact solution is obtained and discussed in detail.

Direct Determination of Range from Current Nuclear Overpressure Equations

DTIC Science & Technology

1988-03-01

residual), a term that takes into account the fact that the model does not exactly describe the behavior of the data. A quadratic (second degree) two...HZ1,HZ2,HZ3,HRY,HZRY,MY1,MY2,MY REAL NY,PS1,PS2,PS3, PS4 ,PS,GR,H,M,DEN C C CREATE A NEW FILE, TRIAL1.DAT, TO STORE THE DATA. C OPEN(32,FILE=’TRIALI.DAT...47/(R**AZ) PS3-(DZ*EZ)/(l+FZ*R**GZ) PS4 =MY/ (R**NY) .5, PS=PS1+PS2+PS3+HZRYIPS4 a, C a’C WRITE THE DATA TO FILE 32 USING FORMAT 100 STATEMENT. * C

The Soft X-ray View of Ultra Fast Outflows

NASA Astrophysics Data System (ADS)

Reeves, J.; Braito, V.; Nardini, E.; Matzeu, G.; Lobban, A.; Costa, M.; Pounds, K.; Tombesi, F.; Behar, E.

2017-10-01

The recent large XMM-Newton programmes on the nearby quasars PDS 456 and PG 1211+143 have revealed prototype ultra fast outflows in the iron K band through highly blue shifted absorption lines. The wind velocities are in excess of 0.1c and are likely to make a significant contribution to the host galaxy feedback. Here we present evidence for the signature of the fast wind in the soft X-ray band from these luminous quasars, focusing on the spectroscopy with the RGS. In PDS 456, the RGS spectra reveal the presence of soft X-ray broad absorption line profiles, which suggests that PDS 456 is an X-ray equivalent to the BAL quasars, with outflow velocities reaching 0.2c. In PG 1211, the soft X-ray RGS spectra show a complex of several highly blue shifted absorption lines over a wide range of ionisation and reveal outflowing components with velocities between 0.06-0.17c. For both quasars, the soft X-ray absorption is highly variable, even on timescales of days and is most prominent when the quasar flux is low. Overall the results imply the presence of a soft X-ray component of the ultra fast outflows, which we attribute to a clumpy or inhomogeneous phase of the disk wind.

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

Wang, Hui; Peng, Rui; Hood, Zachary D.

In the MXenes family of two-dimensional transition-metal carbides there were successful demonstrations of co-catalysts with rutile TiO 2 for visible-light-induced solar hydrogen production from water splitting. The physicochemical properties of Ti 3C 2T x MXene coupled with TiO 2 were investigated by a variety of characterization techniques. The effect of the Ti 3C 2T x loading on the photocatalytic performance of the TiO 2/Ti 3C 2T x composites was elucidated. Moreover, with an optimized Ti 3C 2T x content of 5 wt %, the TiO 2/Ti 3C 2T x composite shows a 400 % enhancement in the photocatalytic hydrogen evolutionmore » reaction compared with that of pure rutile TiO 2. We also expanded our exploration to other MXenes (Nb 2CT x and Ti 2CT x) as co-catalysts coupled with TiO 2, and these materials also exhibited enhanced hydrogen production. These results manifest the generality of MXenes as effective co-catalysts for solar hydrogen production.« less

Crystal growth methods dedicated to low solubility actinide oxalates

NASA Astrophysics Data System (ADS)

Tamain, C.; Arab-Chapelet, B.; Rivenet, M.; Grandjean, S.; Abraham, F.

2016-04-01

Two novel crystal growth syntheses dedicated to low solubility actinide-oxalate systems and adapted to glove box handling are described. These methods based on the use of precursors of either actinide metal or oxalic acid have been optimized on lanthanide systems (analogue of actinides(III)) and then assessed on real actinide systems. They allow the synthesis of several actinide oxalate single crystals, Am2(C2O4)3(H2O)3·xH2O, Th(C2O4)2·6H2O, M2+x[PuIV2-xPuIIIx(C2O4)5]·nH2O and M1-x[PuIII1-xPuIVx(C2O4)2·H2O]·nH2O. It is the first time that these well-known compounds are formed by crystal growth methods, thus enabling direct structural studies on transuranic element systems and acquisition of basic data beyond deductions from isomorphic (or not) lanthanide compounds. Characterizations by X-ray diffraction, UV-visible solid spectroscopy, demonstrate the potentialities of these two crystal growth methods to obtain oxalate compounds.

Isolation, purification, crystallization and preliminary X-ray studies of two 30 kDa proteins from silkworm haemolymph.

PubMed

Pietrzyk, Agnieszka J; Bujacz, Anna; Łochyńska, Małgorzata; Jaskólski, Mariusz; Bujacz, Grzegorz

2011-03-01

Juvenile hormone-binding protein (JHBP) and the low-molecular-mass lipoprotein PBMHP-12 belong to a group of 30 kDa proteins that comprise the major protein component of the haemolymph specific to the fifth-instar larvae stage of the mulberry silkworm Bombyx mori L. Proteins from this group are often essential for the development of the insect. In a project aimed at crystallographic characterization of B. mori JHBP (BmJHBP), it was copurified together with PBMHP-12. Eventually, the two proteins were isolated and crystallized separately. The BmJHBP crystals were orthorhombic (space group C222(1)) and the PBMHP-12 crystals were triclinic. The crystals diffracted X-rays to 2.9 Å (BmJHBP) and 1.3 Å (PBMHP-12) resolution.

CaCl 2 -Accelerated Hydration of Tricalcium Silicate: A STXM Study Combined with 29 Si MAS NMR

DOE PAGES

Li, Qinfei; Ge, Yong; Geng, Guoqing; ...

2015-01-01

Tmore » he effect of calcium chloride (CaCl 2 ) on tricalcium silicate (C 3 S) hydration was investigated by scanning transmission X-ray microscopy (SXM) with Near Edge X-ray Absorption Fine Structure (NEXAFS) spectra and 29 Si MAS NMR. SXM is demonstrated to be a powerful tool for studying the chemical composition of a cement-based hydration system. he Ca L 3,2 -edge NEXAFS spectra obtained by examining C 3 S hydration in the presence of CaCl 2 showed that this accelerator does not change the coordination of calcium in the calcium silicate hydrate (C-S-H), which is the primary hydration product. O K-edge NEXAFS is also very useful in distinguishing the chemical components in hydrated C 3 S. Based on the Ca L 3,2 -edge spectra and chemical component mapping, we concluded that CaCl 2 prefers to coexist with unhydrated C 3 S instead of C-S-H. In Si K-edge NEXAFS analysis, CaCl 2 increases the degree of silicate polymerization of C-S-H in agreement with the 29 Si CP/MAS NMR results, which show that the presence of CaCl 2 in hydrated C 3 S considerably accelerates the formation of middle groups ( Q 2 ) and branch sites ( Q 3 ) in the silicate chains of C-S-H gel at 1-day hydration.« less

Unavoidable Errors: A Spatio-Temporal Analysis of Time-Course and Neural Sources of Evoked Potentials Associated with Error Processing in a Speeded Task

ERIC Educational Resources Information Center

Vocat, Roland; Pourtois, Gilles; Vuilleumier, Patrik

2008-01-01

The detection of errors is known to be associated with two successive neurophysiological components in EEG, with an early time-course following motor execution: the error-related negativity (ERN/Ne) and late positivity (Pe). The exact cognitive and physiological processes contributing to these two EEG components, as well as their functional…

Thermoelectric Properties of Nanograined Si-Ge-Au Thin Films Grown by Molecular Beam Deposition

NASA Astrophysics Data System (ADS)

Nishino, Shunsuke; Ekino, Satoshi; Inukai, Manabu; Omprakash, Muthusamy; Adachi, Masahiro; Kiyama, Makoto; Yamamoto, Yoshiyuki; Takeuchi, Tsunehiro

2018-06-01

Conditions to achieve extremely large Seebeck coefficient and extremely small thermal conductivity in Si-Ge-Au thin films formed of nanosized grains precipitated in amorphous matrix have been investigated. We employed molecular beam deposition to prepare Si1- x Ge x Au y thin films on sapphire substrate. The deposited films were annealed under nitrogen gas atmosphere at 300°C to 500°C for 15 min to 30 min. Nanocrystals dispersed in amorphous matrix were clearly observed by transmission electron microscopy. We did not observe anomalously large Seebeck coefficient, but very low thermal conductivity of nearly 1.0 W K-1 m-1 was found at around 0.2 < x < 0.6. The compositional dependence of the thermal conductivity was well accounted for by the compositional dependence of the mixing entropy. Some of these values agree exactly with the amorphous limit predicted by theoretical calculations. The smallest lattice thermal conductivity found for the present samples is lower than that of nanostructured Si-Ge bulk material for which dimensionless figure of merit of ZT ≈ 1 was reported at high temperature.

Liquidus temperature in the spinel primary phase field: A comparison between optical and crystal fraction methods

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

Riley, Brian J.; Hrma, Pavel; Crum, Jarrod V.

Liquidus temperature (TL) was measured for simulated high-level waste borosilicate glasses covering a Hanford composition region, using an optical method and a crystal-fraction extrapolation method with X-ray diffraction data from isothermal heat treatments. The 38 glasses encompassed a one-component-at-a-time variation of a 16-component matrix. The TL values ranged from 1006°C to 1603°C. First-order polynomial models were fitted to data to obtain coefficients in terms of the effect of 1 mass% component addition on the TL: TL-increasing oxides Cr2O3 (264°C), “Others” (minor components, 163°C), oxides of noble metals (137°C), NiO (91°C), Al2O3 and Fe2O3 (~19–21°C); TL-decreasing oxides K2O (-26°C), Na2O (-41°C),more » and Li2O (-68°C); oxides of little effect MnO, P2O5, ZrO2, F, Bi2O3, SiO2, B2O3, and CaO (9 to -12°C). Also presented are temperatures (T1%) at which glasses contain 1 vol% of spinel as these values are considered relevant to the Hanford Tank Waste Treatment and Immobilization Plant. The measured and estimated values are compared and contrasted and the effect of TL and T1% on glass formulation is discussed.« less

H-T magnetic phase diagrams of electron-doped Sm1-xCaxMnO3: Evidence for phase separation and metamagnetic transitions

NASA Astrophysics Data System (ADS)

Respaud, M.; Broto, J. M.; Rakoto, H.; Vanacken, J.; Wagner, P.; Martin, C.; Maignan, A.; Raveau, B.

2001-04-01

The magnetic properties of the polycrystalline manganites Sm1-xCaxMnO3 have been studied for (1>=x>=2/3) under high magnetic fields up to 50 T. The phase diagrams in the H-T plane have been determined. The more representative systems have also been studied by means of neutron diffraction experiments. Increasing the electron concentration in CaMnO3 leads to an increasing minor ferromagnetic (FM) component superimposed on the antiferromagnetic (AFM) background. A cluster-glass regime is observed for x=0.9, where FM clusters are embedded in the G-type AFM matrix of the parent compound. For 0.8>=x, field-induced transitions from the AFM ground state to a FM one have been observed. They correspond to the melting of the C-type AFM orbital-ordered phase for x=0.8, and to the collapse of the charge-ordered phase for x=3/4. In between these two characteristic domains of concentration, x~0.85, the magnetization curves show a superposition of the two above behaviors, suggesting phase separation. This scenario is consistent with the neutron diffraction results showing that the crystalline and magnetic structures of each phase coexist.

Space Radar Image of the Yucatan Impact Crater Site

NASA Technical Reports Server (NTRS)

1999-01-01

This is a radar image of the southwest portion of the buried Chicxulub impact crater in the Yucatan Peninsula, Mexico. The radar image was acquired on orbit 81 of space shuttle Endeavour on April 14, 1994 by the Spaceborne Imaging Radar C/X-Band Synthetic Aperture Radar (SIR-C/X-SAR). The image is centered at 20 degrees north latitude and 90 degrees west longitude. Scientists believe the crater was formed by an asteroid or comet which slammed into the Earth more than 65 million years ago. It is this impact crater that has been linked to a major biological catastrophe where more than 50 percent of the Earth's species, including the dinosaurs, became extinct. The 180-to 300-kilometer-diameter (110- to 180-mile)crater is buried by 300 to 1,000 meters (1,000 to 3,000 feet) of limestone. The exact size of the crater is currently being debated by scientists. This is a total power radar image with L-band in red, C-band in green, and the difference between C-band L-band in blue. The 10-kilometer-wide (6-mile) band of yellow and pink with blue patches along the top left (northwestern side) of the image is a mangrove swamp. The blue patches are islands of tropical forests created by freshwater springs that emerge through fractures in the limestone bedrock and are most abundant in the vicinity of the buried crater rim. The fracture patterns and wetland hydrology in this region are controlled by the structure of the buried crater. Scientists are using the SIR-C/X-SAR imagery to study wetland ecology and help determine the exact size of the impact crater. Spaceborne Imaging Radar-C and X-band Synthetic Aperture Radar (SIR-C/X-SAR) is part of NASA's Mission to Planet Earth. The radars illuminate Earth with microwaves allowing detailed observations at any time, regardless of weather or sunlight conditions. SIR-C/X-SAR uses three microwave wavelengths: L-band (24 cm), C-band (6 cm) and X-band (3 cm). The multi-frequency data will be used by the international scientific community to better understand the global environment and how it is changing. The SIR-C/X-SAR data, complemented by aircraft and ground studies, will give scientists clearer insights into those environmental changes which are caused by nature and those changes which are induced by human activity. SIR-C was developed by NASA's Jet Propulsion Laboratory. X-SAR was developed by the Dornier and Alenia Spazio companies for the German space agency, Deutsche Agentur fuer Raumfahrtange-legenheiten (DARA), and the Italian space agency, Agenzia Spaziale Italiana (ASI), with the Deutsche Forschungsanstalt fuer Luft und Raumfahrt e.v.(DLR), the major partner in science, operations, and data processing of X-SAR. Research on the biological effects of the Chicxulub impact is supported by the NASA Exobiology Program.

Compact Empirical Mode Decomposition: An Algorithm to Reduce Mode Mixing, End Effect, and Detrend Uncertainty

DTIC Science & Technology

2012-01-01

2, . . . , L), G1 = F1(x (ext) 1 , x (ext) 2 , . . . , x (ext) L ). (18) Similarly, GN is a function of (x (ext) l , l = M , M − 1, . . . , M − L+ 1...EMD and EEMD. Since the observational data contain errors, four time series sm(ti) ( m = 1, 2, 3) are constructed each by a signal [components of (25...three-point non-uniform combined compact difference scheme. J. Comput. Phys., 148: 663–674. Huang, N. E., Shen, Z., Long, S . R., Wu, M . C., Shih, H. H

Characterization of novel RS1 exonic deletions in juvenile X-linked retinoschisis

PubMed Central

D’Souza, Leera; Cukras, Catherine; Antolik, Christian; Craig, Candice; He, Hong; Li, Shibo; Hejtmancik, James F.; Sieving, Paul A.; Wang, Xinjing

2013-01-01

Purpose X-linked juvenile retinoschisis (XLRS) is a vitreoretinal dystrophy characterized by schisis (splitting) of the inner layers of the neuroretina. Mutations within the retinoschisis (RS1) gene are responsible for this disease. The mutation spectrum consists of amino acid substitutions, splice site variations, small indels, and larger genomic deletions. Clinically, genomic deletions are rarely reported. Here, we characterize two novel full exonic deletions: one encompassing exon 1 and the other spanning exons 4–5 of the RS1 gene. We also report the clinical findings in these patients with XLRS with two different exonic deletions. Methods Unrelated XLRS men and boys and their mothers (if available) were enrolled for molecular genetics evaluation. The patients also underwent ophthalmologic examination and in some cases electroretinogram (ERG) recording. All the exons and the flanking intronic regions of the RS1 gene were analyzed with direct sequencing. Two patients with exonic deletions were further evaluated with array comparative genomic hybridization to define the scope of the genomic aberrations. After the deleted genomic region was identified, primer walking followed by direct sequencing was used to determine the exact breakpoints. Results Two novel exonic deletions of the RS1 gene were identified: one including exon 1 and the other spanning exons 4 and 5. The exon 1 deletion extends from the 5′ region of the RS1 gene (including the promoter) through intron 1 (c.(−35)-1723_c.51+2664del4472). The exon 4–5 deletion spans introns 3 to intron 5 (c.185–1020_c.522+1844del5764). Conclusions Here we report two novel exonic deletions within the RS1 gene locus. We have also described the clinical presentations and hypothesized the genomic mechanisms underlying these schisis phenotypes. PMID:24227916

Characterization of novel RS1 exonic deletions in juvenile X-linked retinoschisis.

PubMed

D'Souza, Leera; Cukras, Catherine; Antolik, Christian; Craig, Candice; Lee, Ji-Yun; He, Hong; Li, Shibo; Smaoui, Nizar; Hejtmancik, James F; Sieving, Paul A; Wang, Xinjing

2013-01-01

X-linked juvenile retinoschisis (XLRS) is a vitreoretinal dystrophy characterized by schisis (splitting) of the inner layers of the neuroretina. Mutations within the retinoschisis (RS1) gene are responsible for this disease. The mutation spectrum consists of amino acid substitutions, splice site variations, small indels, and larger genomic deletions. Clinically, genomic deletions are rarely reported. Here, we characterize two novel full exonic deletions: one encompassing exon 1 and the other spanning exons 4-5 of the RS1 gene. We also report the clinical findings in these patients with XLRS with two different exonic deletions. Unrelated XLRS men and boys and their mothers (if available) were enrolled for molecular genetics evaluation. The patients also underwent ophthalmologic examination and in some cases electroretinogram (ERG) recording. All the exons and the flanking intronic regions of the RS1 gene were analyzed with direct sequencing. Two patients with exonic deletions were further evaluated with array comparative genomic hybridization to define the scope of the genomic aberrations. After the deleted genomic region was identified, primer walking followed by direct sequencing was used to determine the exact breakpoints. Two novel exonic deletions of the RS1 gene were identified: one including exon 1 and the other spanning exons 4 and 5. The exon 1 deletion extends from the 5' region of the RS1 gene (including the promoter) through intron 1 (c.(-35)-1723_c.51+2664del4472). The exon 4-5 deletion spans introns 3 to intron 5 (c.185-1020_c.522+1844del5764). Here we report two novel exonic deletions within the RS1 gene locus. We have also described the clinical presentations and hypothesized the genomic mechanisms underlying these schisis phenotypes.

Low magnitude earthquakes generating significant subsidence: the Lunigiana case study

NASA Astrophysics Data System (ADS)

Samsonov, S. V.; Polcari, M.; Melini, D.; Cannelli, V.; Moro, M.; Bignami, C.; Saroli, M.; Vannoli, P.; Stramondo, S.

2013-12-01

We applied the Differential Interferometric Synthetic Aperture Radar (DInSAR) technique to investigate and measure surface displacements due to the ML 5.2, June 21, 2013, earthquake occurred in the Apuan Alps (NW Italy) at a depth of about 5 km. The Centroid Moment Tensor (CMT) solution from INGV indicates an almost pure normal fault mechanism. Two differential interferograms showing the coseismic displacement were generated using X- band and C-band data respectively. The X-Band interferogram was obtained from a Cosmo-SkyMed ascending pair (azimuth -7.9° and incidence angle 40°) with a time interval of one day (June 21 - June 22) and 139 m spatial baseline, covering an area of about 40x40 km around the epicenter. The topographic phase component was removed using the 90 m SRTM DEM. The C-Band interferferogram was computed from two RADARSAT-2 Standard-3 (S3) images, characterized by 24 days temporal and 69 m spatial baselines, acquired on June 18 and July 12, 2013 on ascending orbit (azimuth -10.8°) with an incidence angle of 34° and covering 100x100 km area around the epicenter. The topographic phase component was removed using 30 m ASTER DEM. Adaptive filtering, phase unwrapping with Minimum Cost Flow (MCF) algorithm and orbital refinement were also applied to both interferograms. We modeled the observed SAR deformation fields using the Okada analytical formulation within a nonlinear inversion scheme, and found them to be consistent with a fault plane dipping towards NW at an angle of about 45°. In spite of the small magnitude, this earthquake produces a surface subsidence of about 1.5 cm in the Line-Of-Sight (LOS) direction, corresponding to about 3 cm along the vertical axis, that can be observed in both interferograms and appears consistent with the normal fault mechanisms.

Space weathering trends on carbonaceous asteroids: A possible explanation for Bennu's blue slope?

NASA Astrophysics Data System (ADS)

Lantz, C.; Binzel, R. P.; DeMeo, F. E.

2018-03-01

We compare primitive near-Earth asteroid spectral properties to the irradiated carbonaceous chondrite samples of Lantz et al. (2017) in order to assess how space weathering processes might influence taxonomic classification. Using the same eigenvectors from the asteroid taxonomy by DeMeo et al. (2009), we calculate the principal components for fresh and irradiated meteorites and find that change in spectral slope (blueing or reddening) causes a corresponding shift in the two first principal components along the same line that the C- and X-complexes track. Using a sample of B-, C-, X-, and D-type NEOs with visible and near-infrared spectral data, we further investigated the correlation between prinicipal components and the spectral curvature for the primitive asteroids. We find that space weathering effects are not just slope and albedo, but also include spectral curvature. We show how, through space weathering, surfaces having an original "C-type" reflectance can thus turn into a redder P-type or a bluer B-type, and that space weathering can also decrease (and disguise) the D-type population. Finally we take a look at the case of OSIRIS-REx target (101955) Bennu and propose an explanation for the blue and possibly red spectra that were previously observed on different locations of its surface: parts of Bennu's surface could have become blue due to space weathering, while fresher areas are redder. No clear prediction can be made on Hayabusa-2 target (162173) Ryugu.

Hard-sphere mixture excess free energy at infinite size ratio

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

Tukur, N.M.; Hamad, E.Z.; Mansoori, G.A.

1999-02-01

This article presents the exact limiting value of the derivative of the excess Helmholtz energy, A{sup E}, with respect to molecular size at constant temperature, density and composition for a binary mixture of hard spheres with an infinite size ratio ({sigma}{sub 11}/{sigma}{sub 22}{r_arrow}{infinity}); i.e., lim{sub {sigma}{sub 22}{r_arrow}0}[({partial_derivative}A{sub hs}{sup E}/RT)/{partial_derivative}{sigma}{sub 22}]{sub T,{rho},x,{sigma}{sub 11}}=({pi}/2){rho}x{sub 1}x{sub 2}{sigma}{sub 11}{sup 2}/(1{minus}({pi}/6){rho}x{sub 1}{sigma}{sub 11}{sup 3}). This limiting value is compared with the Mansoori{endash}Carnahan{endash}Starling{endash}Leland (MCSL) and also used to test the limits of some commonly used models in estimating the excess free energy of solvents in mixtures or polymer solutions. The models evaluated include the van Laar,more » Wilson, Edmond{endash}Ogston, Flory{endash}Huggins, Lacome{endash}Sanchez, Scott{endash}Magat, and Chen {ital et al.} It is shown that while the MCSL equation of state produces the same limiting value as the exact value reported here the other mixture models deviate from the exact value. This expression may be utilized to correct the mixture theories at their infinite size ratio limits. {copyright} {ital 1999 American Institute of Physics.}« less

Exploring the Connection between Parsec-scale Jet Activity and Broadband Outbursts in 3C 279

NASA Astrophysics Data System (ADS)

Rani, B.; Jorstad, S. G.; Marscher, A. P.; Agudo, I.; Sokolovsky, K. V.; Larionov, V. M.; Smith, P.; Mosunova, D. A.; Borman, G. A.; Grishina, T. S.; Kopatskaya, E. N.; Mokrushina, A. A.; Morozova, D. A.; Savchenko, S. S.; Troitskaya, Yu. V.; Troitsky, I. S.; Thum, C.; Molina, S. N.; Casadio, C.

2018-05-01

We use a combination of high-resolution very long baseline interferometry (VLBI) radio and multiwavelength flux density and polarization observations to constrain the physics of the dissipation mechanism powering the broadband flares in 3C 279 during an episode of extreme flaring activity in 2013–2014. Six bright flares superimposed on a long-term outburst are detected at γ-ray energies. Four of the flares have optical and radio counterparts. The two modes of flaring activity (faster flares sitting on top of a long-term outburst) present at radio, optical, and γ-ray frequencies are missing in X-rays. X-ray counterparts are only observed for two flares. The first three flares are accompanied by ejection of a new VLBI component (NC2), suggesting the 43 GHz VLBI core as the site of energy dissipation. Another new component, NC3, is ejected after the last three flares, which suggests that the emission is produced upstream from the core (closer to the black hole). The study therefore indicates multiple sites of energy dissipation in the source. An anticorrelation is detected between the optical percentage polarization (PP) and optical/γ-ray flux variations, while the PP has a positive correlation with optical/γ-ray spectral indices. Given that the mean polarization is inversely proportional to the number of cells in the emission region, the PP versus optical/γ-ray anticorrelation could be due to more active cells during the outburst than at other times. In addition to the turbulent component, our analysis suggests the presence of a combined turbulent and ordered magnetic field, with the ordered component transverse to the jet axis.

Formalism for the solution of quadratic Hamiltonians with large cosine terms

NASA Astrophysics Data System (ADS)

Ganeshan, Sriram; Levin, Michael

2016-02-01

We consider quantum Hamiltonians of the form H =H0-U ∑jcos(Cj) , where H0 is a quadratic function of position and momentum variables {x1,p1,x2,p2,⋯} and the Cj's are linear in these variables. We allow H0 and Cj to be completely general with only two restrictions: we require that (1) the Cj's are linearly independent and (2) [Cj,Ck] is an integer multiple of 2 π i for all j ,k so that the different cosine terms commute with one another. Our main result is a recipe for solving these Hamiltonians and obtaining their exact low-energy spectrum in the limit U →∞ . This recipe involves constructing creation and annihilation operators and is similar in spirit to the procedure for diagonalizing quadratic Hamiltonians. In addition to our exact solution in the infinite U limit, we also discuss how to analyze these systems when U is large but finite. Our results are relevant to a number of different physical systems, but one of the most natural applications is to understanding the effects of electron scattering on quantum Hall edge modes. To demonstrate this application, we use our formalism to solve a toy model for a fractional quantum spin Hall edge with different types of impurities.

Organo-Metallic Elements for Associative Information Processing

DTIC Science & Technology

1989-01-15

7844 400 MHz oscilloscope Hamamatsu Model B2297-3 Ge photodiodes Scientech Model 365 power meter Miscellaneous optical components (i.e., harmonic...dried in vacuo at 80 °C for 3 hours to give a tan colored powder 234.2 g, yield I 84%, mp > 400 oC. IR(KBr) 1787, 1733, 1683, 1621, 1557, 1467, 1375...flask was cooled in an ice-water bath for 3 hours and the solid was collected on a filter and washed thoroughly with water 2 x 400 mL and ethanol 3 x

Some remarks about simulation of cosmic ray phenomena with use of nuclear interaction models based on the current SPS proton-antiproton data

NASA Technical Reports Server (NTRS)

Wrotniak, J. A.; Yodh, G. B.

1985-01-01

The x-y controversy is studied by introducing models with as many features (except for x and y distributions) in common, as possible, to avoid an extrapolation problem, only primary energies of 500 TeV are considered. To prove the point, Monte Carlo simulations are performed of EAS generated by 500 TeV vertical primary protons. Four different nuclear interaction models were used. Two of them are described elsewhere. Two are: (1) Model M-Y00 - with inclusive x and y distributions behaving in a scaling way; and (2) Model M-F00 - at and below ISR energies (1 TeV in Lab) exactly equivalent to the above, then gradually changing to provide the distributions in rapidity at 155 TeV as given by SPS proton-antiproton. This was achieved by gradual decrease in the scale unit in x distributions of produced secondaries, as interaction energy increases. Other modifications to the M-Y00 model were made.

Hydrostatic equilibrium of stars without electroneutrality constraint

NASA Astrophysics Data System (ADS)

Krivoruchenko, M. I.; Nadyozhin, D. K.; Yudin, A. V.

2018-04-01

The general solution of hydrostatic equilibrium equations for a two-component fluid of ions and electrons without a local electroneutrality constraint is found in the framework of Newtonian gravity theory. In agreement with the Poincaré theorem on analyticity and in the context of Dyson's argument, the general solution is demonstrated to possess a fixed (essential) singularity in the gravitational constant G at G =0 . The regular component of the general solution can be determined by perturbation theory in G starting from a locally neutral solution. The nonperturbative component obtained using the method of Wentzel, Kramers and Brillouin is exponentially small in the inner layers of the star and grows rapidly in the outward direction. Near the surface of the star, both components are comparable in magnitude, and their nonlinear interplay determines the properties of an electro- or ionosphere. The stellar charge varies within the limits of -0.1 to 150 C per solar mass. The properties of electro- and ionospheres are exponentially sensitive to variations of the fluid densities in the central regions of the star. The general solutions of two exactly solvable stellar models without a local electroneutrality constraint are also presented.

A combined crossed-beam and theoretical study of the reaction dynamics of O(3P) + C2H3 → C2H2 + OH: analysis of the nascent OH products with the preferential population of the Π(A') component.

PubMed

Park, Min-Jin; Jang, Su-Chan; Choi, Jong-Ho

2012-11-28

The gas-phase reaction dynamics of ground-state atomic oxygen [O((3)P) from the photo-dissociation of NO(2)] with vinyl radicals [C(2)H(3) from the supersonic flash pyrolysis of vinyl iodide, C(2)H(3)I] has been investigated using a combination of high-resolution laser-induced fluorescence spectroscopy in a crossed-beam configuration and ab initio calculations. Unlike the previous gas-phase bulk kinetic experiments by Baulch et al. [J. Phys. Chem. Ref. Data 34, 757 (2005)], a new exothermic channel of O((3)P) + C(2)H(3) → C(2)H(2) + OH (X (2)Π: υ" = 0) has been identified for the first time, and the population analysis shows bimodal nascent rotational distributions of OH products with low- and high-N" components with a ratio of 2.4:1. No spin-orbit propensities were observed, and the averaged ratios of Π(A('))∕Π(A") were determined to be 1.66 ± 0.27. On the basis of computations at the CBS-QB3 theory level and comparison with prior theory, the microscopic mechanisms responsible for the nascent populations can be understood in terms of two competing dynamical pathways: a direct abstraction process in the low-N" regime as the major pathway and an addition-complex forming process in the high-N" regime as the minor pathway. Particularly, during the bond cleavage process of the weakly bound van der Waals complex C(2)H(2)-OH, the characteristic pathway from the low dihedral-angle geometry was consistent with the observed preferential population of the Π(A') component in the nascent OH products. A molecular-level discussion of the reactivity, mechanism, and dynamical features of the title reaction are presented together with a comparison to gas-phase oxidation reactions of a series of prototypical hydrocarbon radicals.

Load carriage energy expenditure with and without hiking poles during inclined walking.

PubMed

Jacobson, B H; Wright, T; Dugan, B

2000-07-01

The purpose of this study was to compare load carriage energy expenditure with and without using hiking poles. Twenty male volunteers aged 20-48yr (Mean=29.8yr) completed two randomly ordered submaximal treadmill trials with poles (E) and without poles (C). Poles and load (15 kg backpack) were fitted for each subject according to the manufacturers' suggestions. Heart rates (HR), minute ventilation (V(E)), oxygen consumption (O2), caloric expenditure (Kcal), and rating of perceived exertion (RPE) were recorded at the end of each minute. Two trials separated by one week consisted of a constant treadmill speed of 1.5 mph and 1 min at 10% grade, 2 min at 15% grade, 2 min at 20% grade, and 10 min. at 25% grade. Mean HR (E = 144.8 +/- 24.4 b x min(-1); C = 144.0 +/- 25.7 b x min(-1)) and mean V(E) (E=51.4 +/- 15.8L x min(-1); C=50.8 +/- 17.0L x min(-1)), VO2 (E = 26.9 +/- 6.1 ml x kg(-1) x min(-1); C = 27.4 +/- 6.6 ml x kg(-1) x min(-1)), and Kcal (E = 10.6 +/- 2.9 Kcal x min(-1); C = 10.8 +/- 3.1 Kcal x min(-1)) were not significantly different between the two conditions. RPE (E = 13.28 +/- 1.2; C = 14.56 +/- 1.2) was significantly lower (P < 0.05) with hiking poles. Analysis of paired time points yielded no significant differences in HR, VO2, V(E), and Kcal, however, RPE means were significantly lower for 5 of the last 7 trial minutes with the use of poles. These results suggest that during load carriage on moderate grade, the weight and use of hiking poles does not increase energy expenditure but may provide reduced perceptions of physical exertion.

Method for beam hardening correction in quantitative computed X-ray tomography

NASA Technical Reports Server (NTRS)

Yan, Chye Hwang (Inventor); Whalen, Robert T. (Inventor); Napel, Sandy (Inventor)

2001-01-01

Each voxel is assumed to contain exactly two distinct materials, with the volume fraction of each material being iteratively calculated. According to the method, the spectrum of the X-ray beam must be known, and the attenuation spectra of the materials in the object must be known, and be monotonically decreasing with increasing X-ray photon energy. Then, a volume fraction is estimated for the voxel, and the spectrum is iteratively calculated.

Impacts of individual tree species on carbon dynamics in a moist tropical forest environment.

PubMed

Russell, Ann E; Raich, James W; Arrieta, Ricardo Bedoya; Valverde-Barrantes, Oscar; González, Eugenio

2010-06-01

In the moist tropical forest biome, which cycles carbon (C) rapidly and stores huge amounts of C, the impacts of individual species on C balances are not well known. In one of the earliest replicated experimental sites for investigating growth of native tropical trees, we examined traits of tree species in relation to their effects on forest C balances, mechanisms of influence, and consequences for C sequestration. The monodominant stands, established in abandoned pasture in 1988 at La Selva Biological Station, Costa Rica, contained five species in a complete randomized block design. Native species were: Hieronyma alchorneoides, Pentaclethra macroloba, Virola koschnyi, and Vochysia guatemalensis. The exotic species was Pinus patula. By 16 years, the lack of differences among species in some attributes suggested strong abiotic control in this environment, where conditions are very favorable for growth, These attributes included aboveground net primary productivity (ANPP), averaging 11.7 Mg C x ha(-1) x yr(-1) across species, and soil organic C (0-100 cm, 167 Mg C/ha). Other traits differed significantly, however, indicating some degree of biological control. In Vochysia plots, both aboveground biomass of 99 Mg C/ha, and belowground biomass of 20 Mg C/ha were 1.8 times that of Virola (P = 0.02 and 0.03, respectively). Differences among species in overstory biomass were not compensated by understory vegetation. Belowground NPP of 4.6 Mg C x ha(-1) yr(-1) in Hieronyma was 2.4 times that of Pinus (P < 0.01). Partitioning of NPP to belowground components in Hieronyma was more than double that of Pinus (P = 0.03). The canopy turnover rate in Hieronyma was 42% faster than that of Virola (P < 0.01). Carbon sequestration, highest in Vochysia (7.4 Mg C x ha(-1) x yr(-1), P = 0.02), averaged 5.2 Mg C x ha(-1) x yr(-1), close to the annual per capita fossil fuel use in the United States of 5.3 Mg C. Our results indicated that differences in species effects on forest C balances were related primarily to differences in growth rates, partitioning of C among biomass components, tissue turnover rates, and tissue chemistry. Inclusion of those biological attributes may be critical for robust modeling of C cycling across the moist tropical forest biome.

Combustion Engineering, Inc. [LMFBR

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

Not Available

1980-01-01

Four (4) 3 '' O.D. x 0.470'' nominal wall thickness (NWT) hot rotary pierced/roll reduced modified AOD/ESR tube hollows were cold pilger reduced through one pass to 2'' O.D. x 0.250'' NWT tubing. Two (2) additional hollows of same size and process history were cold pilger reduced through one pass to 2 1/8'' O.D. x 0.200'' NWT. Six (6) 3 3/4'' O.D. x 0.600'' NWT hot extruded tube hollows were cold pilger reduced through two passes to 2'' O.D. x 0.250'' NWT tubing. Four of the extrusions represented duplex AOD/ESR melting practice and two extrusions represented AOD melting practice. Twelvemore » (12) pieces of 2 1/8'' O.D. x 0.200'' NWT x approx. 9' long tubing were final heat treated, straightened, and ultrasonically tested. Twelve (12) more pieces of 2 1/8'' O.D. tubing have been solution austenitized (1177/sup 0/C) and are to be reaustenitized (1066/sup 0/C), tempered (760/sup 0/C), straightened, and ultrasonically inspected. All 2'' O.D. x 0.250'' NWT tubing is in the solution austenitized condition. Creep and stress rupture testing has continued on aged material from CarTech heat 91887 and on unaged material from CarTech heat 30182A.« less

The reactions of cytidine and 2'-deoxycytidine with SO4.- revisited. Pulse radiolysis and product studies.

PubMed

Aravindakumar, Charuvila T; Schuchmann, Man Nien; Rao, Balijepalli S; von Sonntag, Justus; von Sonntag, Clemens

2003-01-21

The reactions of SO4.- with 2'-deoxycytidine 1a and cytidine 1b lead to very different intermediates (base radicals with 1a, sugar radicals with 1b). The present study provides spectral and kinetic data for the various intermediates by pulse radiolysis as well as information on final product yields (free cytosine). Taking these and literature data into account allows us to substantiate but also modify in essential aspects the current mechanistic concept (H. Catterall, M. J. Davies and B. C. Gilbert, J. Chem. Soc., Perkin Trans. 2, 1992, 1379). SO4.- radicals have been generated radiolytically in the reaction of peroxodisulfate with the hydrated electron (and the H. atom). In the reaction of SO4.- with 1a (k = 1.6 x 10(9) dm3 mol-1 s-1), a transient (lambda max = 400 nm, shifted to 450 nm at pH 3) is observed. This absorption is due to two intermediates. The major component (lambda max approximately 385 nm) does not react with O2 and has been attributed to an N-centered radical 4a formed upon sulfate release and deprotonation at nitrogen. The minor component, rapidly wiped out by O2, must be due to C-centered OH-adduct radical(s) 6a and/or 7a suggested to be formed by a water-induced nucleophilic replacement. These radicals decay by second-order kinetics. Free cytosine is only formed in low yields (G = 0.14 x 10(-7) mol J-1 upon electron-beam irradiation). In contrast, 1b gives rise to an intermediate absorbing at lambda max = 530 nm (shifted to 600 nm in acid solution) which rapidly decays (k = 6 x 10(4) s-1). In the presence of O2, the decay is much faster (k approximately 1.3 x 10(9) dm3 mol-1 s-1) indicating that this species must be a C-centered radical. This has been attributed to the C(5)-yl radical 8 formed upon the reaction of the C(2')-OH group with the cytidine SO4(.-)-adduct radical 2b. This reaction competes very effectively with the corresponding reaction of water and the release of sulfate and a proton generating the N-centered radical. Upon the decay of 8, sugar radical 11 is formed with the release of cytosine. The latter is formed with a G value of 2.8 x 10(-7) mol J-1 (85% of primary SO4.-) at high dose rates (electron beam irradiation). At low dose rates (gamma-radiolysis) its yield is increased to 7 x 10(-7) mol J-1 due to a chain reaction involving peroxodisulfate and reducing free radicals. Phosphate buffer prevents the formation of the sugar radical at the SO4(.-)-adduct stage by enhancing the rate of sulfate release by deprotonation of 2b and also by speeding up the decay of the C(5)-yl radical into another (base) radical. Cytosine release in cytidine is mechanistically related to strand breakage in poly(C). Literature data on the effect of dioxygen on strand breakage yields in poly(C) induced by SO4.- (suppressed) and upon photoionisation (unaltered) lead us to conclude that in poly(C) and also in the present system free radical cations are not involved to a major extent. This conclusion modifies an essential aspect of the current mechanistic concept.

Thioether coordination to divalent selenium halide acceptors--synthesis, properties and structures.

PubMed

Jolleys, Andrew; Levason, William; Reid, Gillian

2013-02-28

The tetravalent SeCl(4) and SeBr(4) are reduced in the presence of thioether ligands L (SMe(2), tht) or L-L (MeS(CH(2))(n)SMe (n = 2 or 3), o-C(6)H(4)(SMe)(2)) in MeCN solution at 0 °C, forming Se(II) thioether complexes, including the crystallographically characterised halo-bridged chain polymers [SeX(2)(SMe(2))] (X = Cl or Br), molecular trans-[SeX(2)(tht)(2)], cis-[SeBr(2){MeS(CH(2))(2)SMe}] and the thioether-bridged polymer [SeBr(2){MeS(CH(2))(3)SMe}], as the main products, together with halogenated ligand. The [SeX(2)(L)(2)] and [SeX(2)(L-L)] complexes are all based upon distorted square planar coordination, with two Se-based lone pairs assumed to occupy the (vacant) axial sites, and Se-S bond distances of ca. 2.4-2.6 Å. The 1:1 species [SeX(2)(SMe(2))] are T-shaped with trans X groups and weak intermolecular SeX contacts. The SeCl(2)-thioether complexes are less stable than the bromides, both in solution in CH(2)Cl(2) and as solids at ambient temperature. Reaction of SeBr(4) with o-C(6)H(4)(SMe(2))(2) leads to the red complex cis-[SeBr(2){κ(1)-o-C(6)H(4)(SMe)(2)}(2)] as the major product; together with a minor (yellow) product formed via bromination of the aromatic ring, [SeBr(2){4-Br-1,2-(SMe)(2)-C(6)H(3)}(2)]. The crystal structure confirms a V-shaped SeBr(2) unit with long (weak) κ(1)-interactions to one S donor (meta to the Br) from two brominated ligands--an extremely rare coordination mode for an o-phenylene dithioether. Similar reaction of o-C(6)H(4)(SMe(2))(2) with SeCl(4) leads to several species, including monosulfonium cation, [1](+) formed by coupling of one thioether group to the C4-position of the phenylene backbone in an adjacent molecule, confirmed crystallographically. Carbon-sulfur coupling is also evident in the reaction of SeX(4) with o-C(6)H(4)(CH(2)SMe)(2), leading to two related cyclic sulfonium species, [2](+) and [3](+), which were structurally characterised as [SeBr(4)](2-) and [Se(2)Cl(6)](2-) salts respectively. Reaction of SeX(4) with SeMe(2) leads to halogenation of the ligand to form Me(2)SeX(2) and reduction of the SeX(4) to elemental selenium.

(DURIP) MIMO Radar Testbed for Waveform Adaptive Sensing Research

DTIC Science & Technology

2015-06-17

OH 43210 -1016 31-Aug...Ohio State University Columbus, OH Foreword Microwave radar systems are crucial components of any standoff sensor system due to their all-weather...976LP 3E E N 1 R D 2 R E F 3 V R X 4 HV 5 N/C1 6 N/C2 7 N/C3 8 N /C 4 9 N /C 5 10 V R 11 N /C 6 12 N/C7 13 N/ C8 14 VDD 15 N/C9 16 GND_2 17 C 9 10uF C

Omega Dante Soft X-Ray Power Diagnostic Component Calibration at the National Synchrotron Light Source

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

Campbell, K; Weber, F; Dewald, E

2004-04-15

The Dante soft x-ray spectrometer installed on the Omega laser facility at the Laboratory for Laser Energetics, University of Rochester is a twelve-channel filter-edge defined x-ray power diagnostic. It is used to measure the absolute flux from direct drive, indirect drive (hohlraums) and other plasma sources. Calibration efforts using two beam lines, U3C (50eV-1keV) and X8A (1keV-6keV) at the National Synchrotron Light Source (NSLS) have been implemented to insure the accuracy of these measurements. We have calibrated vacuum x-ray diodes, mirrors and filters.

Construction of combustion models for rapeseed methyl ester bio-diesel fuel for internal combustion engine applications.

PubMed

Golovitchev, Valeri I; Yang, Junfeng

2009-01-01

Bio-diesel fuels are non-petroleum-based diesel fuels consisting of long chain alkyl esters produced by the transesterification of vegetable oils, that are intended for use (neat or blended with conventional fuels) in unmodified diesel engines. There have been few reports of studies proposing theoretical models for bio-diesel combustion simulations. In this study, we developed combustion models based on ones developed previously. We compiled the liquid fuel properties, and the existing detailed mechanism of methyl butanoate ester (MB, C(5)H(10)O(2)) oxidation was supplemented by sub-mechanisms for two proposed fuel constituent components, C(7)H(16) and C(7)H(8)O (and then, by mp2d, C(4)H(6)O(2) and propyne, C(3)H(4)) to represent the combustion model for rapeseed methyl ester described by the chemical formula, C(19)H(34)O(2) (or C(19)H(36)O(2)). The main fuel vapor thermal properties were taken as those of methyl palmitate C(19)H(36)O(2) in the NASA polynomial form of the Burcat database. The special global reaction was introduced to "crack" the main fuel into its constituent components. This general reaction included 309 species and 1472 reactions, including soot and NO(x) formation processes. The detailed combustion mechanism was validated using shock-tube ignition-delay data under diesel engine conditions. For constant volume and diesel engine (Volvo D12C) combustion modeling, this mechanism could be reduced to 88 species participating in 363 reactions.

Weak hydrogen bonding and fluorous interactions in the chloride and bromide salts of 4-[(2,2,3,3-tetrafluoropropoxy)methyl]pyridinium.

PubMed

Lu, Norman; Wei, Rong Jyun; Lin, Kwan Yu; Alagesan, Mani; Wen, Yuh Sheng; Liu, Ling Kang

2017-04-01

Neutralization of 4-[(2,2,3,3-tetrafluoropropoxy)methyl]pyridine with hydrohalo acids HX (X = Cl and Br) yielded the pyridinium salts 4-[(2,2,3,3-tetrafluoropropoxy)methyl]pyridinium chloride, C 9 H 10 F 4 NO + ·Cl - , (1), and 4-[(2,2,3,3-tetrafluoropropoxy)methyl]pyridinium bromide, C 9 H 10 F 4 NO + ·Br - , (2), both carrying a fluorous side chain at the para position of the pyridinium ring. Single-crystal X-ray diffraction techniques revealed that (1) and (2) are isomorphous. The halide anions accept four hydrogen bonds from N-H, ortho-C-H and CF 2 -H groups. Two cations and two anions form a centrosymmetric dimeric building block, utilizing complimentary N-H...X...H-Csp 3 connections. These dimers are further crosslinked, utilizing another complimentary Csp 2 -H...X...H-Csp 2 connection. The pyridinium rings are π-stacked, forming columns running parallel to the a axis that make angles of ca 44-45° with the normal to the pyridinium plane. There are also supramolecular C-H...F-C interactions, namely bifurcated C-H...F and bifurcated C-F...H interactions; additionally, one type II C-F...F-C halogen bond has been observed.

Development of a photo-voltaic pumping system using a brushless D.C. motor and helical rotor pump

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

Langridge, D.; Lawrance, W.; Wichert, B.

1996-12-31

A PV pumping system based on a brushless d.c. motor and helical rotor pump has been designed, simulated and a prototype constructed. The paper describes the operation of the system and the development of component models for the array, the brushless d.c. motor and helical rotor pump. Simulation results and subsequent test results for the complete system are included. Efficiencies of between 30 and 50% for the system (excluding the array) have been achieved over a range of loads and operating conditions for 4 x 1 and 4 x 2 array configurations. 9 refs., 10 figs., 2 tabs.

Time-resolved two-photon spectroscopy of photosystem I determines hidden carotenoid dark-state dynamics.

PubMed

Wehling, Axel; Walla, Peter J

2005-12-29

We present time-resolved fs two-photon pump-probe data measured with photosystem I (PS I) of Thermosynechococcus elongatus. Two-photon excitation (lambda(exc)/2 = 575 nm) in the spectral region of the optically forbidden first excited singlet state of the carotenoids, Car S1, gives rise to a 800 fs and a 9 ps decay component of the Car S1 --> S(n) excited-state absorption with an amplitude of about 47 +/- 16% and 53 +/- 10%, respectively. By measuring a solution of pure beta-carotene under exactly the same conditions, only a 9 ps decay component can be observed. Exciting PS I at exactly the same spectral region via one-photon excitation (lambda(exc) = 575 nm) also does not show any sub-ps component. We ascribe the observed constant of 800 fs to a portion of about 47 +/- 16% beta-carotene states that can potentially transfer their energy efficiently to chlorophyll pigments via the optically dark Car S1 state. We compared these data with conventional one-photon pump-probe data, exciting the optically allowed second excited state, Car S2. This comparison demonstrates that the fast dynamics of the optically forbidden state can hardly be unravelled via conventional one-photon excitation only because the corresponding Car S1 populations are too small after Car S2 --> Car S1 internal conversion. A direct comparison of the amplitudes of the Car S1 --> S(n) excited-state absorption of PS I and beta-carotene observed after Car S2 excitation allows determination of a quantum yield for the Car S1 formation in PS I of 44 +/- 5%. In conclusion, an overall Car S2 --> Chl energy-transfer efficiency of approximately 69 +/- 5% is observed at room temperature with 56 +/- 5% being transferred via Car S2 and probably very hot Car S1 states and 13 +/- 5% being transferred via hot and "cold" Car S1 states.

Effect of glycine functionalization of 2D titanium carbide (MXene) on charge storage

DOE PAGES

Chen, Chi; Boota, Muhammad; Urbankowski, Patrick; ...

2018-02-20

Restacking of two-dimensional (2D) flakes reduces the accessibility of electrolyte ions and is a problem in energy storage and other applications. Organic molecules can be used to prevent restacking and keep the interlayer space open. In this paper, we report on a combined theoretical and experimental investigation of the interaction between 2D titanium carbide (MXene), Ti 3C 2T x, and glycine. From first principle calculations, we presented the functionalization of glycine on the Ti 3C 2O 2 surface, evidenced by the shared electrons between Ti and N atoms. To experimentally validate our predictions, we synthesized flexible freestanding films of Timore » 3C 2T x/glycine hybrids. X-ray diffraction and X-ray photoelectron spectroscopy confirmed the increased interlayer spacing and possible Ti–N bonding, respectively, which agree with our theoretical predictions. Finally, the Ti 3C 2T x/glycine hybrid films exhibited an improved rate and cycling performances compared to pristine Ti 3C 2T x, possibly due to better charge percolation within expanded Ti 3C 2T x.« less

Phase Equilibria and Transport Properties in the Systems AgNO3/RCN/H2O. R = CH3, C2H5, C3H7, C4H,, C6H5, and C6H5CH2

NASA Astrophysics Data System (ADS)

Das, Surjya P.; Wittekopf, Burghard; Weil, Konrad G.

1988-11-01

Silver nitrate can form homogeneous liquid phases with some organic nitriles and water, even when there is no miscibility between the pure liquid components. We determined the shapes of the single phase regions in the ternary phase diagram for the following systems: silver nitrate /RCN /H2O with R =CH3, C3H7, C6H5, and C6H5CH2 at room temperature and for R =C6H5 also at 60 °C and O °C. Furthermore we studied kinematic viscosities, electrical conductivities, and densities of mixtures containing silver nitrate, RCN, and water with the mole ratios X /4 /1 (0.2≦ X ≦S 3.4). In these cases also R = C2H5 and C4H9 were studied. The organic nitriles show different dependences of viscosity and conductivity on the silver nitrate content from the aliphatic ones.

X(3872), IG(JPC) = 0+(1++), as the χc1(2P) charmonium

NASA Astrophysics Data System (ADS)

Achasov, N. N.; Rogozina, E. V.

2015-09-01

Contrary to almost standard opinion that the X(3872) resonance is the D∗0D¯0 + c.c. molecule or the qcq¯c¯ four-quark state, we discuss the scenario where the X(3872) resonance is the cc¯ = χc1(2P) charmonium which “sits on” the D∗0D¯0 threshold. We explain the shift of the mass of the X(3872) resonance with respect to the prediction of a potential model for the mass of the χc1(2P) charmonium by the contribution of the virtual D∗D¯ + c.c. intermediate states into the self energy of the X(3872) resonance. This allows us to estimate the coupling constant of the X(7872) resonance with the D∗0D¯0 channel, the branching ratio of the X(3872) → D∗0D¯0 + c.c. decay, and the branching ratio of the X(3872) decay into all non-D∗0D¯0 + c.c. states. We predict a significant number of unknown decays of X(3872) via two gluon: X(3872) →gluon gluon →hadrons. We suggest a physically clear program of experimental researches for verification of our assumption.

Application of the GEM-T2 gravity field to altimetric satellite orbit computation

NASA Technical Reports Server (NTRS)

Haines, Bruce J.; Born, George H.; Williamson, Ronald G.; Koblinsky, Chester I.

1994-01-01

As part of a continuing effort to provide improved orbits for use with existing altimeter data, we have recomputed ephemerides for both the Seasat and Geosat Exact Repeat altimeter missions. The orbits were computed in a consistent fashion, using the Goddard Earth Model T2 (GEM-T2) gravity field along with available ground-based tracking data. Such an approach allows direct comparisons of sea level between the two altimeter systems. Evaluation of the resulting ephemerides indicates that root-mean-square accuracies of 30-50 cm have been achieved for the radial component of the orbits for both satellites. An exception occurs for the last year of the Geosat Exact Repeat Mission, when the rms radial orbit accuracy degrades to the 1-m level at times owing to the inability to adequately model the drag force arising from the increased solar activity.

The 1:1 inclusion compounds zolmitriptan-benzene and zolmitriptan-phenol.

PubMed

Swamy, G Y S K; Sridhar, B; Ravikumar, K; Krishnan, Harihara

2007-07-01

In the benzene and phenol solvates of (S)-4-{3-[2-(dimethylamino)ethyl]-1H-indol-5-ylmethyl}oxazolidin-2-one, viz. C(16)H(21)N(3)O(2) x C(6)H(6), (I), and C(16)H(21)N(3)O(2) x C(6)H(5)OH, (II), the host molecule has three linked residues, namely a planar indole ring system, an ethylamine side chain and an oxazolidinone system. It has comparable features to that of sumatriptan, although the side-chain orientations of (I) and (II) differ from those of sumatriptan. Both (I) and (II) have host-guest-type structures. The host molecule in (I) and (II) has an L-shaped form, with the oxazolidinone ring occupying the base and the remainder of the molecule forming the upright section. In (I), each benzene guest molecule is surrounded by four host molecules, and these molecules are linked by a combination of N-H...N, N-H...O and C-H...O hydrogen bonds into chains of edge-fused R(4)(4)(33) rings. In (II), two independent molecules are present in the asymmetric unit, with similar conformations. The heterocyclic components are connected through N-H...N, N-H...O and C-H...O interactions to form chains of edge-fused R(6)(4)(38) rings, from which the phenol guest molecules are pendent, linked by O-H...O hydrogen bonds. The structures are further stabilized by extensive C-H...pi interactions.

Exact supersymmetry on the lattice

NASA Astrophysics Data System (ADS)

Ghadab, Sofiane

We describe a new approach of putting supersymmetric theories on the lattice. The basic idea is to discretize a twisted formulation of the (extended) supersymmetric theory. One can think about the twisting as an exotic change of variables that modifies the quantum numbers of the original fields. It exposes a scalar nilpotent supercharge which one can be preserved exactly on the lattice. We give explicit examples from sigma models and Yang-Mills theories. For the former, we show how to deform the theory by the addition of potential terms which preserve the supersymmmetry and play the role of Wilson terms, thus preventing the appearance of doublers. For the Yang-Mills theories however, one can show that their twisted versions can be rewritten in terms of two real Kahler-Dirac fields whose components transform into each other under the twisted supersymmetry. Once written in this geometrical language, one can ensure that the model does not exhibit spectrum doubling if one maps the component tensor fields to appropriate geometrical structures in the lattice. Numerical study of the O(3) sigma models and U(2) and SU(2) Yang-Mills theories for the case N = D = 2 indicates that no additional fine tuning is needed to recover the continuum supersymmetric models.

Ground and excited state dissociation dynamics of ionized 1,1-difluoroethene.

PubMed

Gridelet, E; Dehareng, D; Locht, R; Lorquet, A J; Lorquet, J C; Leyh, B

2005-09-22

The kinetic energy release distributions (KERDs) for the fluorine atom loss from the 1,1-difluoroethene cation have been recorded with two spectrometers in two different energy ranges. A first experiment uses dissociative photoionization with the He(I) and Ne(I) resonance lines, providing the ions with a broad internal energy range, up to 7 eV above the dissociation threshold. The second experiment samples the metastable range, and the average ion internal energy is limited to about 0.2 eV above the threshold. In both energy domains, KERDs are found to be bimodal. Each component has been analyzed by the maximum entropy method. The narrow, low kinetic energy components display for both experiments the characteristics of a statistical, simple bond cleavage reaction: constraint equal to the square root of the fragment kinetic energy and ergodicity index higher than 90%. Furthermore, this component is satisfactorily accounted for in the metastable time scale by the orbiting transition state theory. Potential energy surfaces corresponding to the five lowest electronic states of the dissociating 1,1-C2H2F2+ ion have been investigated by ab initio calculations at various levels. The equilibrium geometry of these states, their dissociation energies, and their vibrational wavenumbers have been calculated, and a few conical intersections between these surfaces have been identified. It comes out that the ionic ground state X2B1 is adiabatically correlated with the lowest dissociation asymptote. Its potential energy curve increases in a monotonic way along the reaction coordinate, giving rise to the narrow KERD component. Two states embedded in the third photoelectron band (B2A1 at 15.95 eV and C2B2 at 16.17 eV) also correlate with the lowest asymptote at 14.24 eV. We suggest that their repulsive behavior along the reaction coordinate be responsible for the KERD high kinetic energy contribution.

Calculating the mounting parameters for Taylor Spatial Frame correction using computed tomography.

PubMed

Kucukkaya, Metin; Karakoyun, Ozgur; Armagan, Raffi; Kuzgun, Unal

2011-07-01

The Taylor Spatial Frame uses a computer program-based six-axis deformity analysis. However, there is often a residual deformity after the initial correction, especially in deformities with a rotational component. This problem can be resolved by recalculating the parameters and inputting all new deformity and mounting parameters. However, this may necessitate repeated x-rays and delay treatment. We believe that error in the mounting parameters is the main reason for most residual deformities. To prevent these problems, we describe a new calculation technique for determining the mounting parameters that uses computed tomography. This technique is especially advantageous for deformities with a rotational component. Using this technique, exact calculation of the mounting parameters is possible and the residual deformity and number of repeated x-rays can be minimized. This new technique is an alternative method to accurately calculating the mounting parameters.

A Model for Prediction Bird and Ice Impact Loads on Structures.

DTIC Science & Technology

1982-05-01

F33615-77-C-5221 UNCLASSIFIED UDR-TR79_5 AFAAL-TR-82-20,6 NL AUFaL4flm-82-2046 A !m . ?Pm PmIc1! iO Bnom ’cc WPM I~ WADS CisTvmEw L. 1. BORHPN A. QIAU...Formation of an Element From Four Mid-Node Points Tlx X3 - X1 Tly a Y3 - ¥l Tz " Z3 - z1 T2x = X4 - X2 T2y = Y4 - Y2 T2 z ’ Z4 - Z2 The cross product...own length, i.e., Stl Tlx t a (29) Tlz tlz " -T7 where T1 - Tlx2 + Tly2 + Tlz 2 (30) The vector t 2 is defined by t 2 - ’ x t, so that its components

Large-Area Direct Hetero-Epitaxial Growth of 1550-nm InGaAsP Multi-Quantum-Well Structures on Patterned Exact-Oriented (001) Silicon Substrates by Metal Organic Chemical Vapor Deposition

NASA Astrophysics Data System (ADS)

Megalini, Ludovico; Cabinian, Brian C.; Zhao, Hongwei; Oakley, Douglas C.; Bowers, John E.; Klamkin, Jonathan

2018-02-01

We employ a simple two-step growth technique to grow large-area 1550-nm laser structures by direct hetero-epitaxy of III-V compounds on patterned exact-oriented (001) silicon (Si) substrates by metal organic chemical vapor deposition. Densely-packed, highly uniform, flat and millimeter-long indium phosphide (InP) nanowires were grown from Si v-grooves separated by silicon dioxide (SiO2) stripes with various widths and pitches. Following removal of the SiO2 patterns, the InP nanowires were coalesced and, subsequently, 1550-nm laser structures were grown in a single overgrowth without performing any polishing for planarization. X-ray diffraction, photoluminescence, atomic force microscopy and transmission electron microscopy analyses were used to characterize the epitaxial material. PIN diodes were fabricated and diode-rectifying behavior was observed.

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

Chen, Chi; Boota, Muhammad; Urbankowski, Patrick

Restacking of two-dimensional (2D) flakes reduces the accessibility of electrolyte ions and is a problem in energy storage and other applications. Organic molecules can be used to prevent restacking and keep the interlayer space open. In this paper, we report on a combined theoretical and experimental investigation of the interaction between 2D titanium carbide (MXene), Ti 3C 2T x, and glycine. From first principle calculations, we presented the functionalization of glycine on the Ti 3C 2O 2 surface, evidenced by the shared electrons between Ti and N atoms. To experimentally validate our predictions, we synthesized flexible freestanding films of Timore » 3C 2T x/glycine hybrids. X-ray diffraction and X-ray photoelectron spectroscopy confirmed the increased interlayer spacing and possible Ti–N bonding, respectively, which agree with our theoretical predictions. Finally, the Ti 3C 2T x/glycine hybrid films exhibited an improved rate and cycling performances compared to pristine Ti 3C 2T x, possibly due to better charge percolation within expanded Ti 3C 2T x.« less

Geometrical study on two tilting arcs based exact cone-beam CT for breast imaging

NASA Astrophysics Data System (ADS)

Zeng, Kai; Yu, Hengyong; Fajardo, Laurie L.; Wang, Ge

2006-08-01

Breast cancer is the second leading cause of cancer death in women in the United States. Currently, X-ray mammography is the method of choice for screening and diagnosing breast cancer. However, this 2D projective modality is far from perfect; with up to 17% breast cancer going unidentified. Over past several years, there has been an increasing interest in cone-beam CT for breast imaging. However, previous methods utilizing cone-beam CT only produce approximate reconstructions. Following Katsevich's recent work, we propose a new scanning mode and associated exact cone-beam CT method for breast imaging. In our design, cone-beam scans are performed along two tilting arcs for collection of a sufficient amount of data for exact reconstruction. In our Katsevich-type algorithm, conebeam data is filtered in a shift-invariant fashion and then backprojected in 3D for the final reconstruction. This approach has several desirable features. First, it allows data truncation unavoidable in practice. Second, it optimizes image quality for quantitative analysis. Third, it is efficient for sequential/parallel computation. Furthermore, we analyze the reconstruction region and the detection window in detail, which are important for numerical implementation.

Development of mono-component and tri-component fibres 100% polymer based piezoelectric PVDF to harvest energy

NASA Astrophysics Data System (ADS)

Talbourdet, A.; Rault, F.; Cayla, A.; Cochrane, C.; Devaux, E.; Gonthier, A.; Lemort, G.; Campagne, C.

2017-10-01

A first study focused on the realization of a 100% Polyvinylidene fluoride woven fabric. The multi-filaments produced by melt spinning and studied by FTIR, X-Ray and DSC, were optimized in the β-phase, 97%, thanks drawing ratio of λ=5, and the processing temperature, 90°C. When the polar β-phase achieves a certain level in PVDF, the woven material is poling with fields up to about 6kV. DMA tests coupled to a Keithley voltmeter allow the solicitation of PVDF fabrics. A variation of voltage is obtained in compression, with a maximum output voltage of up to 2,3V. The other part of the study explains premises of a tricomponent fibre development, PEHD/PVDF/PA12. Two layers of conductive polymers acting as electrodes are placed on either side of the PVDF layer. The interfacial adhesion between the three different layers is analysed by SEM. The maximum stretch on melt spinning was fixed at 2.5 and the β-phase of the PVDF measured by X-Ray.

Investigation of two o-hydroxy Schiff bases in terms of prototropy and radical scavenging activity

NASA Astrophysics Data System (ADS)

Albayrak Kaştaş, Çiğdem; Kaştaş, Gökhan; Güder, Aytaç; Gür, Mahmut; Muğlu, Halit; Büyükgüngör, Orhan

2017-02-01

Two Schiff bases, namely (E)-4,6-dibromo-3-methoxy-2-[(phenylimino)methyl]phenol (1) and (Z)-2,4-dibromo-6-[(4-buthylphenylamino)methylene]-5-methoxycyclohexa-2,4-dienone (2), have been investigated by considering solvent, substituent and temperature dependence of prototropy, and scavenging activities. Experimental (X-ray diffraction, UV-vis and NMR) and computational (DFT) techniques have been used to obtain key data on prototropy and other properties of interest. X-ray and UV-vis results underline the variability in the structural preferences of the compounds with respect to the phase and solvent media conditions. This kind of tautomeric behavior has been elaborated by 1H NMR and 13C NMR experiments performed at room and low temperatures. Radical scavenging properties of two compounds have been probed for their usage potentials as therapeutic agent and ingredient in medicinal and food industries, respectively. For this purpose, three different test methods (DPPH, ABTS•+ and DMPD•+) have been used. It has been found from in vivo and in vitro studies that the compound 2 could be interesting as an active component in pharmaceutical industry or as an additive in food industry when its antiradical activity is considered.

Atomic-scale recognition of surface structure and intercalation mechanism of Ti3C2X.

PubMed

Wang, Xuefeng; Shen, Xi; Gao, Yurui; Wang, Zhaoxiang; Yu, Richeng; Chen, Liquan

2015-02-25

MXenes represent a large family of functionalized two-dimensional (2D) transition-metal carbides and carbonitrides. However, most of the understanding on their unique structures and applications stops at the theoretical suggestion and lack of experimental support. Herein, the surface structure and intercalation chemistry of Ti3C2X are clarified at the atomic scale by aberration-corrected scanning transmission electron microscope (STEM) and density functional theory (DFT) calculations. The STEM studies show that the functional groups (e.g., OH(-), F(-), O(-)) and the intercalated sodium (Na) ions prefer to stay on the top sites of the centro-Ti atoms and the C atoms of the Ti3C2 monolayer, respectively. Double Na-atomic layers are found within the Ti3C2X interlayer upon extensive Na intercalation via two-phase transition and solid-solution reactions. In addition, aluminum (Al)-ion intercalation leads to horizontal sliding of the Ti3C2X monolayer. On the basis of these observations, the previous monolayer surface model of Ti3C2X is modified. DFT calculations using the new modeling help to understand more about their physical and chemical properties. These findings enrich the understanding of the MXenes and shed light on future material design and applications. Moreover, the Ti3C2X exhibits prominent rate performance and long-term cycling stability as an anode material for Na-ion batteries.

Characterisation of iron inclusion during the formation of calcium sulfoaluminate phase

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

Idrissi, M., E-mail: mari_idrissi@yahoo.f; Diouri, A.; Damidot, D.

The iron distribution among the sulfoaluminate clinker phases and its ability to enter the calcium sulfoaluminate lattice in solid solution can have a significant influence on manufacturing process and reactivity of calcium sulfoaluminate (CSA) cements. X-ray diffraction (XRD) analysis, Moessbauer spectroscopy, scanning electron microscopy (SEM) equipped with an energy dispersive X-ray analysis system (EDAX) and infrared spectroscopy were used to identify the mineralogical conditions of iron inclusion during the formation of calcium sulfoaluminate (C{sub 4}A{sub 3}S) phase from different mixtures in the CaO-Al{sub 2}O{sub 3}-Fe{sub 2}O{sub 3}-SO{sub 3} system. The mixtures, heated in a laboratory electric oven, contained stoichiometric amountsmore » of reagent grade CaCO{sub 3}, Al{sub 2}O{sub 3}, Fe{sub 2}O{sub 3} and CaSO{sub 4.2}H{sub 2}O for the synthesis of Ca{sub 4}Al{sub (6-2x)}Fe{sub 2x}SO{sub 16}, where x, comprised between 0 and 3, is the mole number of Al{sub 2}O{sub 3} substituted by Fe{sub 2}O{sub 3}. With x increasing from 0 to 1.5, both the iron content of C{sub 4}A{sub 3}S phase and the amounts of side components such as C{sub 2}F and CS increased. For x values included in the range of 1.5-3.0, at temperatures higher than 1200 {sup o}C, melting phenomena were observed and, instead of the C{sub 4}A{sub 3}S solid solution, ferritic phases and anhydrite were formed.« less

Highly efficient Cu-decorated iron oxide nanocatalyst for low pressure CO 2 conversion

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

Halder, Avik; Kilianová, Martina; Yang, Bing

We report a nanoparticulate iron oxide based catalyst for CO2 conversion with high efficiency at low pressures and on the effect of the presence of copper on the catalyst's restructuring and its catalytic performance. In situ X-ray scattering reveals the restructuring of the catalyst at the nanometer scale. In situ X-ray absorption near edge structure (XANES) shows the evolution of the composition and oxidation state of the iron and copper components under reaction conditions along with the promotional effect of copper on the chemical transformation of the iron component. X-ray diffraction (XRD), XANES and Raman spectroscopy proved that the startingmore » nano catalyst is composed of iron oxides differing in chemical nature (alpha-Fe2O3, Fe3O4, FeO(OH)) and dimensionality, while the catalyst after CO2 conversion was identified as a mixture of alpha-Fe, Fe3C, and traces of Fe5C2. The significant increase of the rate CO2 is turned over in the presence of copper nanoparticles indicates that Cu nanoparticles activate hydrogen, which after spilling over to the neighbouring iron sites, facilitate a more efficient conversion of carbon dioxide.« less

Spin-dependent optimized effective potential formalism for open and closed systems

NASA Astrophysics Data System (ADS)

Rigamonti, S.; Horowitz, C. M.; Proetto, C. R.

2015-12-01

Orbital-based exchange (x ) correlation (c ) energy functionals, leading to the optimized effective potential (OEP) formalism of density-functional theory (DFT), are gaining increasing importance in ground-state DFT, as applied to the calculation of the electronic structure of closed systems with a fixed number of particles, such as atoms and molecules. These types of functionals prove also to be extremely valuable for dealing with solid-state systems with reduced dimensionality, such as is the case of electrons trapped at the interface between two different semiconductors, or narrow metallic slabs. In both cases, electrons build a quasi-two-dimensional electron gas, or Q2DEG. We provide here a general DFT-OEP formal scheme valid both for Q2DEGs either isolated (closed) or in contact with a particle bath (open), and show that both possible representations are equivalent, being the choice of one or the other essentially a question of convenience. Based on this equivalence, a calculation scheme is proposed which avoids the noninvertibility problem of the density response function for closed systems. We also consider the case of spontaneously spin-polarized Q2DEGs, and find that far from the region where the Q2DEG is localized, the exact x -only exchange potential approaches two different, spin-dependent asymptotic limits. As an example, aside from these formal results, we also provide numerical results for a spin-polarized jellium slab, using the new OEP formalism for closed systems. The accuracy of the Krieger-Li-Iafrate approximation has been also tested for the same system, and found to be as good as it is for atoms and molecules.

New molecular assemblies of redox isomers, [CrIII(X4SQ)3-n(X4Cat)n]-n (X = Cl and Br; n = 0, 1, and 2), with metallocenium cations, [MIIICp2]+ (M = Co and Fe): X-ray crystal structures and physical properties.

PubMed

Chang, H C; Miyasaka, H; Kitagawa, S

2001-01-01

A series of redox isomers of [CrIII(X4SQ)(X4Cat)2]2-, [CrIII(X4SQ)2(X4Cat)]-, and [CrIII(X4SQ)3]0 (X = Cl and Br, SQ = semiquinonate, and Cat = catecholate) have been synthesized and characterized as charge-transfer (CT) compounds with metallocenium cations: (CoIIICp2)2[CrIII(Cl4SQ)(Cl4Cat)2] (1), (CoIIICp2)2[CrIII(Br4SQ)(Br4Cat)2] (2), (FeIIICp2)[CrIII(Cl4SQ)2(Cl4Cat)].C6H6 (4), (FeIIICp2)[CrIII(Br4SQ)2(Br4Cat)].CS2 (5), and (FeIIICp2)[CrIII(Cl4SQ)2(Cl4Cat)][CrIII(Cl4SQ)3] (6). First, the oxidation states of the chromium complexes are strongly dependent on the redox potentials of the metallocenes used. The CoIICp2, exhibiting stronger reduction power than FeIICp2, is useful for two-electron reduction of the [CrIII(X4SQ)3]0, affording [CrIII(X4SQ)(X4Cat)2]2- (1 and 2), which are first isolated and crystallographically characterized in the solid state. In contrast the reaction with FeIICp2 affords only [CrIII(X4SQ)2(X4Cat)]- (4 and 5). Second, solvents influence crystal structures of these compounds. The solvent set of C6H6/CS2 gives 1:1:C6H6 compound 4 with unique charged anions, [CrIII(Cl4SQ)2(Cl4Cat)]-, while the other set, n-C6H12/CS2, affords 1:2 compound 6 including the two redox isomers, [CrIII(Cl4SQ)2(Cl4Cat)]- and [CrIII(Cl4SQ)3]0. The [CrIII(X4SQ)(X4Cat)2]2- anions in 1 and 2 show no significant interconnection between them (discrete type), while the [CrIII(X4SQ)2(X4Cat)]- anions in 4-6 show one-dimensional column-type structures with the aid of intermolecular stacking interactions of the ligand moieties. The anions in 4 show additional stacking interaction with the [FeIIICp2]+ to form one-dimensional ...[D][A][S][D][A]... (D = [FeIIICp2]+, A = [CrIII(Cl4SQ)2(Cl4Cat)]-, and S = C6H6) type mixed-stack arrangements similar to that of previously reported (CoIIICp2)[CrIII(Cl4SQ)2(Cl4Cat)].C6H6 (3). Compound 6 forms a two-dimensional sheet structure where the two redox isomers, [CrIII(Cl4SQ)2(Cl4Cat)]- and [CrIII(Cl4SQ)3]0, are included. The sheet is regarded as a mixed-valence molecular assembly. Two types of the anions, [CrIII(X4SQ)(X4Cat)2]2- (1 and 2) and [CrIII(X4SQ)2(X4Cat)]- (4-6), exhibiting an intramolecular mixed-valence state, show intramolecular intervalence CT transition (IVCT) from the Cat to the SQ at near 5800 and 4300 cm-1, respectively, both in the solution and in the solid states. The intermolecular mixed-valence state of 6 was characterized by absorption spectroscopy, electric conductivity, and SQUID magnetometry. Interestingly, this mixed-valence state of the chromium module is dependent on the redox active nature of the coordinated ligands.

Measurements of energetic electron distributions in uv and ir laser plasmas. [0. 35 AND 1. 05. mu. M; 5 X 10/sup 13/ to 2 x 10/sup 15/ W/cm/sup 2/

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

Keck, R.L.

1985-06-01

Measurements have been made of the x-ray continuum produced by plasmas irradiated with 0.35 and 1.05 ..mu..m laser light over an intensity range of 5 x 10/sup 13/ to 2 x 10/sup 15/ W/cm/sup 2/. From the x-ray continuum, which was measured over a range of 1.5 to 300 keV, both the temperature of and fractional energy in any supra-thermal electron distributions can be obtained. The measurements show the presence of a very high temperature (20 to 60 keV) electron distribution with either 0.35 or 1.05 ..mu..m irradiation. This component, which is attributed to the presence of the two-plasmon decaymore » instability, is observed above an intensity of approximately 10/sup 14/ W/cm/sup 2/ at 1.05 ..mu..m and contains less than 0.1% of the incident laser energy. With 0.35 ..mu..m irradiation, the intensity at which this component is observed is approximately a factor of 3 higher. At 1.05 ..mu..m, this very high temperature component appears in addition to a third, 2 to 7 keV, component attributed to resonance absorption. 38 refs., 37 figs., 6 tabs.« less

Space Radar Image of the Yucatan Impact Crater Site

NASA Image and Video Library

1999-01-27

This is a radar image of the southwest portion of the buried Chicxulub impact crater in the Yucatan Peninsula, Mexico. The radar image was acquired on orbit 81 of space shuttle Endeavour on April 14, 1994 by the Spaceborne Imaging Radar C/X-Band Synthetic Aperture Radar (SIR-C/X-SAR). The image is centered at 20 degrees north latitude and 90 degrees west longitude. Scientists believe the crater was formed by an asteroid or comet which slammed into the Earth more than 65 million years ago. It is this impact crater that has been linked to a major biological catastrophe where more than 50 percent of the Earth's species, including the dinosaurs, became extinct. The 180-to 300-kilometer-diameter (110- to 180-mile) crater is buried by 300 to 1,000 meters (1,000 to 3,000 feet) of limestone. The exact size of the crater is currently being debated by scientists. This is a total power radar image with L-band in red, C-band in green, and the difference between C-band L-band in blue. The 10-kilometer-wide (6-mile) band of yellow and pink with blue patches along the top left (northwestern side) of the image is a mangrove swamp. The blue patches are islands of tropical forests created by freshwater springs that emerge through fractures in the limestone bedrock and are most abundant in the vicinity of the buried crater rim. The fracture patterns and wetland hydrology in this region are controlled by the structure of the buried crater. Scientists are using the SIR-C/X-SAR imagery to study wetland ecology and help determine the exact size of the impact crater. http://photojournal.jpl.nasa.gov/catalog/PIA01723

P2X7 receptor blockade protects against cisplatin-induced nephrotoxicity in mice by decreasing the activities of inflammasome components, oxidative stress and caspase-3

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

Zhang, Yuanyuan; Yuan, Fahuan; Cao, Xuejiao

2014-11-15

Nephrotoxicity is a common complication of cisplatin chemotherapy and thus limits the use of cisplatin in clinic. The purinergic 2X7 receptor (P2X7R) plays important roles in inflammation and apoptosis in some inflammatory diseases; however, its roles in cisplatin-induced nephrotoxicity remain unclear. In this study, we first assessed the expression of P2X7R in cisplatin-induced nephrotoxicity in C57BL/6 mice, and then we investigated the changes of renal function, histological injury, inflammatory response, and apoptosis in renal tissues after P2X7R blockade in vivo using an antagonist A-438079. Moreover, we measured the changes of nod-like receptor family, pyrin domain containing proteins (NLRP3) inflammasome components,more » oxidative stress, and proapoptotic genes in renal tissues in cisplatin-induced nephrotoxicity after treatment with A-438079. We found that the expression of P2X7R was significantly upregulated in the renal tubular epithelial cells in cisplatin-induced nephrotoxicity compared with that of the normal control group. Furthermore, pretreatment with A-438079 markedly attenuated the cisplatin-induced renal injury while lightening the histological damage, inflammatory response and apoptosis in renal tissue, and improved the renal function. These effects were associated with the significantly reduced levels of NLRP3 inflammasome components, oxidative stress, p53 and caspase-3 in renal tissues in cisplatin-induced nephrotoxicity. In conclusions, our studies suggest that the upregulated activity of P2X7R might play important roles in the development of cisplatin-induced nephrotoxicity, and P2X7R blockade might become an effective therapeutic strategy for this disease. - Highlights: • The P2X7R expression was markedly upregulated in cisplatin-induced nephrotoxicity. • P2X7R blockade significantly attenuated the cisplatin-induced renal injury. • P2X7R blockade reduced activities of NLRP3 inflammasome components in renal tissue. • P2X7R blockade reduced levels of oxidative stress and apoptosis in renal tissue. • P2X7R blockade may be a novel adjunctive therapy strategy for this disease.« less

Physicochemical, rheological and structural characteristics of starch in maize tortillas.

PubMed

Hernández-Uribe, Juan P; Ramos-López, Gonzalo; Yee-Madeira, Hernani; Bello-Pérez, Luis A

2010-06-01

Fresh and stored maize (white and blue) tortillas were evaluated for physicochemical, rheological and structural characteristics assessed by calorimetry, x-ray diffraction, Fourier transform infrared (FTIR) spectroscopy, dynamic viscoelastic tests, and high-performance size-exclusion chromatography. Two endotherms were found in studies of fresh and stored tortillas. The low temperature endotherm (50-56 degrees C) was due to reorganized (retrograded) amylopectin, while the high temperature endotherm (105-123 degrees C) was attributed to retrograded amylose. The enthalpy value for the lower temperature transition was minor than that of the high temperature transition. Fresh tortillas showed an amorphous starch arrangement by x-ray diffraction study. Stored samples showed the presence of peaks at 2theta = 17 masculine and 23 masculine, indicating re-crystallization of starch components. FTIR results confirmed the development of higher levels of starch crystals during storage. Differences in the viscoelastic parameters were also observed between fresh and stored samples. At the longest storage times, white tortillas were more rigid than blue tortillas. Molar mass values for starch increased for both white and blue tortillas as storage time progressed, though relatively higher values were obtained for white tortillas. More starch reorganization occurred in white tortillas, in accordance to calorimetric, x-ray diffraction, FTIR and rheological results. These results corroborate that changes occurring in tortillas during storage are related to reorganization of starch components, and the maize variety more than the color plays an important role.

Titania Composites with 2 D Transition Metal Carbides as Photocatalysts for Hydrogen Production under Visible-Light Irradiation

DOE PAGES

Wang, Hui; Peng, Rui; Hood, Zachary D.; ...

2016-05-24

In the MXenes family of two-dimensional transition-metal carbides there were successful demonstrations of co-catalysts with rutile TiO 2 for visible-light-induced solar hydrogen production from water splitting. The physicochemical properties of Ti 3C 2T x MXene coupled with TiO 2 were investigated by a variety of characterization techniques. The effect of the Ti 3C 2T x loading on the photocatalytic performance of the TiO 2/Ti 3C 2T x composites was elucidated. Moreover, with an optimized Ti 3C 2T x content of 5 wt %, the TiO 2/Ti 3C 2T x composite shows a 400 % enhancement in the photocatalytic hydrogen evolutionmore » reaction compared with that of pure rutile TiO 2. We also expanded our exploration to other MXenes (Nb 2CT x and Ti 2CT x) as co-catalysts coupled with TiO 2, and these materials also exhibited enhanced hydrogen production. These results manifest the generality of MXenes as effective co-catalysts for solar hydrogen production.« less

Mixing Enthalpies of TbBr3-MBr Liquid Mixtures

NASA Astrophysics Data System (ADS)

Rycerz, L.; Gaune-Escard, M.

2001-12-01

The molar enthalpies of mixing, Δmix Hm in the binary liquid systems TbBr3-MBr (M = Li, Na, K, Rb, Cs) have been m easured with a Calvet-type high-tem perature microcalorimeter over the entire composition range with an accuracy of about 6 %. Mixing of the two liquid components was achieved by using the "break-off am poule" technique. All the investigated systems show negative enthalpies of mixing with a minim um value of approxim ately -1.25, - 8 .3 , -17.0, - 2 0 . 0 and -22.5 kJ mol -1, for M = Li, Na, K, Rb and Cs, respectively. The mixing enthalpy in the TbBr3- LiBr system is positive in the TbBr3-rich region. For all the systems, the enthalpy minimum occurs at mole fraction xTbBr3 ≈ 0.3 - 0.4. The molar enthalpies of form ation Δ formHm (3MBr, TbBr3, 1) for M = Li, Na, K, Rb and Cs at 1113 K (arising from the reaction 3M Br(1) +TbBr3(1) = (3MBr, TbBr3) (1)) are found to be -4 .8 , -31.3, -63.3, -70.3 and -8 1 .2 kJ mol-1 , respectively. The leastsquares coefficients A, B, C, D and E in the equation λ (kJ mol-1) = A + B x + C x2 + Dx3 + Ex4, where A is an interaction param eter and x = xTbBr , are also reported.

Specificity and mechanism of protein kinase C activation by sn-1,2-diacylglycerols.

PubMed Central

Ganong, B R; Loomis, C R; Hannun, Y A; Bell, R M

1986-01-01

The specificity of protein kinase C activation by sn-1,2-diacylglycerols and analogues was investigated by using a Triton X-100 mixed micellar assay [Hannun, Y. A., Loomis, C. R. & Bell, R. M. (1985) J. Biol. Chem. 260, 10039-10043]. Analogues containing acyl or alkyl chains eight carbons in length were synthesized because sn-1,2-dioctanoylglycerol is an effective cell-permeant activator of protein kinase C. These analogues were tested as activators and antagonists of rat brain protein kinase C to determine the exact structural features important for activity. The analogues established that activation of protein kinase C by diacylglycerols is highly specific. Several analogues established that both carbonyl moieties of the oxygen esters are required for maximal activity and that the 3-hydroxyl moiety is also required. None of the analogues were antagonists. These data, combined with previous investigations, permitted formulation of a model of protein kinase C activation. A three-point attachment of sn-1,2-diacylglycerol to the surface-bound protein kinase C-phosphatidylserine-Ca2+ complex is envisioned to cause activation. Direct ligation of diacylglycerol to Ca2+ is proposed to be an essential step in the mechanism of activation of protein kinase C. Images PMID:3456578

X-ray induced luminescence properties of (Y,Eu)AlO3 single crystals

NASA Astrophysics Data System (ADS)

Kuro, Tomoaki; Nakauchi, Daisuke; Okada, Go; Kawaguchi, Noriaki; Yanagida, Takayuki

2017-02-01

We investigated photoluminescence, scintillation and dosimeter properties of (Y1-x Eux)AlO3 (x = 0.001, 0.5 and 1) single crystals (hereafter denoted as Eu:YAP for x = 0.001, EYAP for x = 0.5 and EAP for x = 1). The samples were prepared by the Floating Zone method. In photoluminescence (PL), we observed a broad emission around 300-400 nm due to host under excitation of 280 nm, and emissions due to the 4f state transitions of Eu3+ appeared around 590 nm and 615 nm. Scintillation spectra also show emission peaks around 590 and 615 nm due to the 4f state transitions of Eu3+ in all the samples. In addition, emissions around 300-400 nm due to YAP host and around 550-700 nm due to 5d-4f transitions of Eu2+ appeared in Eu:YAP. The PL and scintillation decay time profiles consisted of several exponential decay components. The fast (ns) component group was possibly due to host emission, and especially Eu:YAP demonstrated a very fast PL decay time of 16 ns. The intermediate (μs) component group was due to the 5d-4f transitions of Eu2+. The slow (ms) component group was ascribed to the 4f state transitions of Eu3+ ion. The Eu:YAP sample showed intense thermally-stimulated luminescence (TSL) with peaks at 46, 155, 255 and 443 °C. The intensity was much higher than those of EAP and EYAP. In particular, the peak at 254 °C, which showed the highest intensity, was due to doping with Eu. The TSL dose response function showed a good linearity (R2 > 0.99) over a wide dose range from 0.1 mGy to 100 mGy for Eu:YAP, which showed the highest sensitivity among the present samples.

Thermal design and performance of the REgolith x-ray imaging spectrometer (REXIS) instrument

NASA Astrophysics Data System (ADS)

Stout, Kevin D.; Masterson, Rebecca A.

2014-08-01

The REgolith X-ray Imaging Spectrometer (REXIS) instrument is a student collaboration instrument on the OSIRIS-REx asteroid sample return mission scheduled for launch in September 2016. The REXIS science mission is to characterize the elemental abundances of the asteroid Bennu on a global scale and to search for regions of enhanced elemental abundance. The thermal design of the REXIS instrument is challenging due to both the science requirements and the thermal environment in which it will operate. The REXIS instrument consists of two assemblies: the spectrometer and the solar X-ray monitor (SXM). The spectrometer houses a 2x2 array of back illuminated CCDs that are protected from the radiation environment by a one-time deployable cover and a collimator assembly with coded aperture mask. Cooling the CCDs during operation is the driving thermal design challenge on the spectrometer. The CCDs operate in the vicinity of the electronics box, but a 130 °C thermal gradient is required between the two components to cool the CCDs to -60 °C in order to reduce noise and obtain science data. This large thermal gradient is achieved passively through the use of a copper thermal strap, a large radiator facing deep space, and a two-stage thermal isolation layer between the electronics box and the DAM. The SXM is mechanically mounted to the sun-facing side of the spacecraft separately from the spectrometer and characterizes the highly variable solar X-ray spectrum to properly interpret the data from the asteroid. The driving thermal design challenge on the SXM is cooling the silicon drift detector (SDD) to below -30 °C when operating. A two-stage thermoelectric cooler (TEC) is located directly beneath the detector to provide active cooling, and spacecraft MLI blankets cover all of the SXM except the detector aperture to radiatively decouple the SXM from the flight thermal environment. This paper describes the REXIS thermal system requirements, thermal design, and analyses, with a focus on the driving thermal design challenges for the instrument. It is shown through both analysis and early testing that the REXIS instrument can perform successfully through all phases of its mission.

Synthesis, spectral and antifungal analysis of diaryldithiophosphates of mono- and dibutyltin(IV): x-ray structure of [{(3,5-CH3)2C6H3O)2PS2}2Sn(nBu)2].

PubMed

Syed, Atiya; Khajuria, Ruchi; Kumar, Sandeep; Jassal, Amanpreet Kaur; Hundal, Maninder S; Pandey, Sushil K

2014-01-01

Diaryldithiophosphate complexes of mono- and dibutyltin(IV) corresponding to [(ArO)(2)PS(2)(n)Sn(nBu)xCl(4-x-n)] (Ar = o-CH(3)C(6)H(4), m-CH(3)C(6)H(4), p-CH(3)C(6)H(4), 4-Cl-3-CH(3)C(6)H(3), (3,5-CH(3))(2)C(6)H(3); n = 1, 2 for x = 1 and n = 2 for x = 2) were successfully isolated and characterized by elemental analyses, IR, multinuclear NMR ((1)H, (13)C, (31)P and (119)Sn) spectroscopy and X-ray analysis. The thermal properties of the complex [(3,5-CH(3))(2)C(6)H(3)O(2)PS(2)](2)Sn(nBu)(2) (12) have been examined by combined DTA/ DTG thermal analyses. Single crystal X-ray analysis of [(3,5-CH(3))(2)C(6)H(3)O(2)PS(2)](2)S(n)(nBu)(2) (12) revealed that two diaryldithiophosphate ions are coordinated to tin atom in an anisobidentate fashion through the sulfur atoms of each dithiophosphate moiety leading to distorted skew-trapezoidal bipyramidal geometry. The antifungal activity depicts that these complexes are active against fungus Penicillium chrysogenium.

The large-scale gravitational bias from the quasi-linear regime.

NASA Astrophysics Data System (ADS)

Bernardeau, F.

1996-08-01

It is known that in gravitational instability scenarios the nonlinear dynamics induces non-Gaussian features in cosmological density fields that can be investigated with perturbation theory. Here, I derive the expression of the joint moments of cosmological density fields taken at two different locations. The results are valid when the density fields are filtered with a top-hat filter window function, and when the distance between the two cells is large compared to the smoothing length. In particular I show that it is possible to get the generating function of the coefficients C_p,q_ defined by <δ^p^({vec}(x)_1_)δ^q^({vec}(x)_2_)>_c_=C_p,q_ <δ^2^({vec}(x))>^p+q-2^ <δ({vec}(x)_1_)δ({vec}(x)_2_)> where δ({vec}(x)) is the local smoothed density field. It is then possible to reconstruct the joint density probability distribution function (PDF), generalizing for two points what has been obtained previously for the one-point density PDF. I discuss the validity of the large separation approximation in an explicit numerical Monte Carlo integration of the C_2,1_ parameter as a function of |{vec}(x)_1_-{vec}(x)_2_|. A straightforward application is the calculation of the large-scale ``bias'' properties of the over-dense (or under-dense) regions. The properties and the shape of the bias function are presented in details and successfully compared with numerical results obtained in an N-body simulation with CDM initial conditions.

Crystal growth methods dedicated to low solubility actinide oxalates

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

Tamain, C., E-mail: christelle.tamain@cea.fr; Arab-Chapelet, B.; Rivenet, M.

Two novel crystal growth syntheses dedicated to low solubility actinide-oxalate systems and adapted to glove box handling are described. These methods based on the use of precursors of either actinide metal or oxalic acid have been optimized on lanthanide systems (analogue of actinides(III)) and then assessed on real actinide systems. They allow the synthesis of several actinide oxalate single crystals, Am{sub 2}(C{sub 2}O{sub 4}){sub 3}(H{sub 2}O){sub 3}·xH{sub 2}O, Th(C{sub 2}O{sub 4}){sub 2}·6H{sub 2}O, M{sub 2+x}[Pu{sup IV}{sub 2−x}Pu{sup III}{sub x}(C{sub 2}O{sub 4}){sub 5}]·nH{sub 2}O and M{sub 1−x}[Pu{sup III}{sub 1−x}Pu{sup IV}{sub x}(C{sub 2}O{sub 4}){sub 2}·H{sub 2}O]·nH{sub 2}O. It is the first timemore » that these well-known compounds are formed by crystal growth methods, thus enabling direct structural studies on transuranic element systems and acquisition of basic data beyond deductions from isomorphic (or not) lanthanide compounds. Characterizations by X-ray diffraction, UV–visible solid spectroscopy, demonstrate the potentialities of these two crystal growth methods to obtain oxalate compounds. - Graphical abstract: Two new single crystal growth methods dedicated to actinide oxalate compounds. - Highlights: • Use of diester as oxalate precursor for crystal growth of actinide oxalates. • Use of actinide oxide as precursor for crystal growth of actinide oxalates. • Crystal growth of Pu(III) and Am(III) oxalates. • Crystal growth of mixed Pu(III)/Pu(IV) oxalates.« less

Synthesis, characterization, single crystal X-ray and DFT analysis of disubstituted phosphorodithioates

NASA Astrophysics Data System (ADS)

Kour, Mandeep; Kumar, Sandeep; Feddag, Ahmed; Andotra, Savit; Chouaih, Abdelkader; Gupta, Vivek K.; Kant, Rajni; Pandey, Sushil K.

2018-04-01

Disubstituted phosphorodithioates of the type [{(2,5-CH3)2C6H3O}2PS2HNEt3] (1) and [{(3,5-CH3)2C6H3O)2(PS2)}2] (2) were synthesized and characterized by IR and NMR (1H,13C and 31P) spectroscopic studies and as single crystal X-ray analysis. The compound 1 crystallizes in monoclinic space group P21/c whereas compound 2 crystallizes in triclinic space group Pbar1. The X-ray analysis reveals that in compound 1 phosphorus atom is coordinated to the two S and two O atoms to form tetrahedral geometry. The structure is stabilized by cation-anion Nsbnd H⋯S hydrogen bonded interactions. In compound 2, the two phosphorus atoms have a distorted tetrahedral geometry coordinated to two (3,5-CH3)2C6H3O groups. The molecule possesses a crystallographic center of symmetry and consists of zig-zag array of Sdbnd Psbnd Ssbnd Ssbnd Pdbnd S linkages with two diphenyldithiophosphate moieties in the trans configuration. Molecular geometries, HOMO-LUMO analysis and molecular electrostatic potential of compounds 1 and 2 are investigated by theoretical calculations using B3LYP functional with the 6-311G basis combination set in the ground state and compared with the experimental values.

Mycobacterium tuberculosis PhoY Proteins Promote Persister Formation by Mediating Pst/SenX3-RegX3 Phosphate Sensing.

PubMed

Namugenyi, Sarah B; Aagesen, Alisha M; Elliott, Sarah R; Tischler, Anna D

2017-07-11

The Mycobacterium tuberculosis phosphate-specific transport (Pst) system controls gene expression in response to phosphate availability by inhibiting the activation of the SenX3-RegX3 two-component system under phosphate-rich conditions, but the mechanism of communication between these systems is unknown. In Escherichia coli , inhibition of the two-component system PhoR-PhoB under phosphate-rich conditions requires both the Pst system and PhoU, a putative adaptor protein. E. coli PhoU is also involved in the formation of persisters, a subpopulation of phenotypically antibiotic-tolerant bacteria. M. tuberculosis encodes two PhoU orthologs, PhoY1 and PhoY2. We generated phoY single- and double-deletion mutants and examined the expression of RegX3-regulated genes by quantitative reverse transcription-PCR (qRT-PCR). Gene expression was increased only in the Δ phoY1 Δ phoY2 double mutant and could be restored to the wild-type level by complementation with either phoY1 or phoY2 or by deletion of regX3 These data suggest that the PhoY proteins function redundantly to inhibit SenX3-RegX3 activation. We analyzed the frequencies of antibiotic-tolerant persister variants in the phoY mutants using several antibiotic combinations. Persister frequency was decreased at least 40-fold in the Δ phoY1 Δ phoY2 mutant compared to the frequency in the wild type, and this phenotype was RegX3 dependent. A Δ pstA1 mutant lacking a Pst system transmembrane component exhibited a similar RegX3-dependent decrease in persister frequency. In aerosol-infected mice, the Δ phoY1 Δ phoY2 and Δ pstA1 mutants were more susceptible to treatment with rifampin but not isoniazid. Our data demonstrate that disrupting phosphate sensing mediated by the PhoY proteins and the Pst system enhances the susceptibility of M. tuberculosis to antibiotics both in vitro and during infection. IMPORTANCE Persister variants, subpopulations of bacteria that are phenotypically antibiotic tolerant, contribute to the lengthy treatment times required to cure Mycobacterium tuberculosis infection, but the molecular mechanisms governing their formation and maintenance are poorly characterized. Here, we demonstrate that a phosphate-sensing signal transduction system, comprising the Pst phosphate transporter, the two-component system SenX3-RegX3, and functionally redundant PhoY proteins that mediate signaling between Pst and SenX3-RegX3, influences persister formation. Activation of RegX3 by deletion of the phoY genes or a Pst system component resulted in decreased persister formation in vitro Activated RegX3 also limited persister formation during growth under phosphate-limiting conditions. Importantly, increased susceptibility to the front-line drug rifampin was also observed in a mouse infection model. Thus, the M. tuberculosis phosphate-sensing signal transduction system contributes to antibiotic tolerance and is a potential target for the development of novel therapeutics that may shorten the duration of tuberculosis treatment. Copyright © 2017 Namugenyi et al.

Simulation of Phonon Spectra in Three-Component Two-Dimensional Crystals of Refractory-Metal Dichalcogenides

NASA Astrophysics Data System (ADS)

Alexeev, A. Yu.; Krivosheeva, A. V.; Shaposhnikov, V. L.; Borisenko, V. E.

2017-09-01

A model for ab initio calculation of the phonon properties of three-component solid solutions of refractory-metal dichalcogenides was developed based on the assumption that displacements of the same type of chalcogen atoms and decoupled displacements of the metal atoms were identical. The calculated phonon frequencies at the Γ-point for monomolecular layers of MoS2-xSex and MoS2-xTex agreed with existing experimental Raman spectra.

A new transient pulsar in the Small Magellanic Cloud with an unusual x-ray spectrum

NASA Technical Reports Server (NTRS)

Hughes, John P.

1994-01-01

This article reports the discovery of a luminous (3.5 x 10(exp 37) ergs/sec over the 0.2 to 2 keV band) transient X-ray pulsar in the Small Magellanic Cloud (SMC) with an extremely soft component to its X-ray spectrum. This is the first time that a spectrum of this type has been seen in this class of X-ray source. The pulse period is 2.7632 s, and the pulse modulation appears to vary with energy from nearly unpulsed in the low-energy band of the ROSAT Position Sensitive Proportional Counter (PSPC) (0.07 to 0.4 keV) to about 50% in the high-energy band (1.0 to 2.4 keV). The object, RX J0059.2-7138, also shows flickering variability in its X-ray emission on timescales of 50 to 100s. The pulse-phase-averaged PSPC X-ray spectrum can be well described by a two-component source model seen through an absorbing column density of approximately 10(exp 21) atoms cm(exp -2). One spectral component is a power law with photon index 2.4. The other component is significantly softer and can be described by either a steeply falling power law or a blackbody with a temperature KT(sub BB) approximately 35 eV. Ths component is transient, but evidently upulsed, and, for the blackbody model fits, requires a large bolometric luminosity: near, or even several times greater than, the Eddington luminosity for a 1.4 solar mass object. When these characteristics of its soft emission are considered, RX J0059.2-7138 appears quite similar to other X-ray sources in the magellanic Clouds, such as CAL 83, CAL 87, and RX J0527.8-6954, which show only extreme ultrasoft (EUS) X-ray spectra. The discovery of RX J0059.2-7138, a probably high-mass X-ray binary, clearly indicates that EUS spectra may arise from accretion-powered neutron-star X-ray sources. This result lends support to the idea that some of the 'pure' EUS sources may be shrouded low-mass X-ray binaries rather than accreting white dwarfs.

The phase structure and electrochemical performance of xLi2MnO3·(1 - x)LiNi1/3Co1/3Mn1/3O2 during the synthesis and charge-discharge process

NASA Astrophysics Data System (ADS)

Yuan, Ting; Liu, HongQuan; Gu, YiJie; Cui, HongZhi; Wang, YanMin

2016-09-01

The lithium-rich layered xLi2MnO3·(1 - x)LiNi1/3Co1/3Mn1/3O2 materials were simply prepared by the molten-salt method. The effects of reaction temperature and x value on the phase structure and electrochemistry were systemically studied by X-ray diffraction, galvanostatical charge/discharge and electrochemical impedance spectroscopy (EIS). It has been found that the obtained phase is sensitive to the reaction temperature and composition. A layered rock-salt form with hexagonal α-NaFeO2-type structure occurs at 700 °C, while a spinel LiMn2O4 becomes the main phase at 800 °C. Besides, a spinel Li4Mn5O12 component can be found in the lithium-rich layered material when x value decreases to 0.4. The 0.4Li2MnO3·0.6LiNi1/3Co1/3Mn1/3O2 material can deliver a high initial discharge capacity of 218 mAhg-1 under 20 mAg-1 current rate, then increase to the maximum 241 mAhg-1 after 4 cycles. It is confirmed by different cycle d Q/d V profile change that the layer rock-salt transforms into the two phases with the layer rock-salt phase and the spinel phase step by step. According to the EIS analysis, the 0.4Li2MnO3·0.6LiNi1/3Co1/3Mn1/3O2 sample with the better electrochemical performance shows the smaller charge transfer resistance and Warburg impedance associated with Li-ion diffusion through cathode, which is attributed to contribution from a fast 3D Li-ion diffusion channel of appropriate Li4Mn5O12 phase.

Highly selective SiO2 etching over Si3N4 using a cyclic process with BCl3 and fluorocarbon gas chemistries

NASA Astrophysics Data System (ADS)

Matsui, Miyako; Kuwahara, Kenichi

2018-06-01

A cyclic process for highly selective SiO2 etching with atomic-scale precision over Si3N4 was developed by using BCl3 and fluorocarbon gas chemistries. This process consists of two alternately performed steps: a deposition step using BCl3 mixed-gas plasma and an etching step using CF4/Ar mixed-gas plasma. The mechanism of the cyclic process was investigated by analyzing the surface chemistry at each step. BCl x layers formed on both SiO2 and Si3N4 surfaces in the deposition step. Early in the etching step, the deposited BCl x layers reacted with CF x radicals by forming CCl x and BF x . Then, fluorocarbon films were deposited on both surfaces in the etching step. We found that the BCl x layers formed in the deposition step enhanced the formation of the fluorocarbon films in the CF4 plasma etching step. In addition, because F radicals that radiated from the CF4 plasma reacted with B atoms while passing through the BCl x layers, the BCl x layers protected the Si3N4 surface from F-radical etching. The deposited layers, which contained the BCl x , CCl x , and CF x components, became thinner on SiO2 than on Si3N4, which promoted the ion-assisted etching of SiO2. This is because the BCl x component had a high reactivity with SiO2, and the CF x component was consumed by the etching reaction with SiO2.

DNA mismatch repair proteins MLH1 and PMS2 can be imported to the nucleus by a classical nuclear import pathway.

PubMed

de Barros, Andrea C; Takeda, Agnes A S; Dreyer, Thiago R; Velazquez-Campoy, Adrian; Kobe, Boštjan; Fontes, Marcos R M

2018-03-01

MLH1 and PMS2 proteins form the MutLα heterodimer, which plays a major role in DNA mismatch repair (MMR) in humans. Mutations in MMR-related proteins are associated with cancer, especially with colon cancer. The N-terminal region of MutLα comprises the N-termini of PMS2 and MLH1 and, similarly, the C-terminal region of MutLα is composed by the C-termini of PMS2 and MLH1, and the two are connected by linker region. The nuclear localization sequences (NLSs) necessary for the nuclear transport of the two proteins are found in this linker region. However, the exact NLS sequences have been controversial, with different sequences reported, particularly for MLH1. The individual components are not imported efficiently, presumably due to their C-termini masking their NLSs. In order to gain insights into the nuclear transport of these proteins, we solved the crystal structures of importin-α bound to peptides corresponding to the supposed NLSs of MLH1 and PMS2 and performed isothermal titration calorimetry to study their binding affinities. Both putative MLH1 and PMS2 NLSs can bind to importin-α as monopartite NLSs, which is in agreement with some previous studies. However, MLH1-NLS has the highest affinity measured by a natural NLS peptide, suggesting a major role of MLH1 protein in nuclear import compared to PMS2. Finally, the role of MLH1 and PMS2 in the nuclear transport of the MutLα heterodimer is discussed. Copyright © 2017 Elsevier B.V. and Société Française de Biochimie et Biologie Moléculaire (SFBBM). All rights reserved.

A fast rebinning algorithm for 3D positron emission tomography using John's equation

NASA Astrophysics Data System (ADS)

Defrise, Michel; Liu, Xuan

1999-08-01

Volume imaging in positron emission tomography (PET) requires the inversion of the three-dimensional (3D) x-ray transform. The usual solution to this problem is based on 3D filtered-backprojection (FBP), but is slow. Alternative methods have been proposed which factor the 3D data into independent 2D data sets corresponding to the 2D Radon transforms of a stack of parallel slices. Each slice is then reconstructed using 2D FBP. These so-called rebinning methods are numerically efficient but are approximate. In this paper a new exact rebinning method is derived by exploiting the fact that the 3D x-ray transform of a function is the solution to the second-order partial differential equation first studied by John. The method is proposed for two sampling schemes, one corresponding to a pair of infinite plane detectors and another one corresponding to a cylindrical multi-ring PET scanner. The new FORE-J algorithm has been implemented for this latter geometry and was compared with the approximate Fourier rebinning algorithm FORE and with another exact rebinning algorithm, FOREX. Results with simulated data demonstrate a significant improvement in accuracy compared to FORE, while the reconstruction time is doubled. Compared to FOREX, the FORE-J algorithm is slightly less accurate but more than three times faster.

New Findings on the Phase Transitions in Li(sub 1-x)CoO(sub 2) and Li(sub 1-x)NiO(sub 2) Cathode Materials During Cycling: In Situ Synchrotron X-Ray Diffraction Studies

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

Yang, X. Q.; Sun, X.; McBreen, J.

The authors have utilized synchrotron x-ray radiation to perform ''in situ'' x-ray diffraction studies on Li{sub 1-x}CoO{sub 2} and Li{sub 1-x}NiO{sub 2} cathodes. A C/10 charging rate was used for a Li/Li{sub 1-x}CoO{sub 2} cell. For the Li/Li{sub 1-x}NiO{sub 2} cells, C/13 and C/84 rates were applied. The in situ XRD data were collected during the first charge from 3.5 to 5.2 V. For the Li{sub 1-x}CoO{sub 2} cathode, in the composition range of x = 0 to x = 0.5, a new intermediate phase H2a was observed in addition to the two expected hexagonal phases H1 and H2. Inmore » the region very close to x = 0.5, some spectral signatures for the formation of a monoclinic phase M1 were also observed. Further, in the x = 0.8 to x = 1 region, the formation of a CdI{sub 2} type hexagonal phase has been confirmed. However, this new phase is transformed from a CdCl{sub 2} type hexagonal phase, rather than from a monoclinic phase M2 as previously reported in the literature. For the Li{sub 1-x}NiO{sub 2} system, by taking the advantage of the high resolution in 2{theta} angles through the synchrotron based XRD technique, they were able to identify a two-phase coexistence region of hexagonal phase H1 and H2, which has been mistakenly indexed as a single phase region for monoclinic phase M1. Interesting similarities and differences between these two systems are also discussed.« less

Testing Binary Mixing Models for Lavas Erupted Along the Reykjanes Ridge: Insights From C-He Relationships

NASA Astrophysics Data System (ADS)

de Leeuw, G. A.; Hilton, D. R.; Shaw, A. M.; Murton, B. J.; Taylor, R. N.

2002-12-01

We report new CO2 abundance and isotope data for 36 basalt glasses erupted along the Reykjanes Ridge between latitudes 57.5 and 63°N. Lavas can be divided into (a) water-rich samples (~0.4 wt.%), erupted at depths < 775m north of 61.5°N, and (b) samples with water ~ 0.2 wt.%, erupted at depths of 620 - 2060 m and located between 57.5 and 61.5°N. Based upon He-Pb isotope systematics (Hilton et al., EPSL, 2000), deeper samples (category b) lie along binary mixing trajectories between plume-like (3He/4He ~ 30RA; 206Pb/204Pb ~ 18.7) and MORB-like endmembers (3He/4He ~ 8RA; 206Pb/204Pb ~ 18.0). Shallow samples (category a) do not fall on mixing trajectories: consistent with volatile loss followed by addition of a crustal contaminant, resulting in lower 3He/4He ratios. The aim of this study is to test whether binary mixing trends are observed using C-He relationships. All samples were analyzed using incremental heating techniques which allows for resolution of vesicle-sited CO2 from CO2 dissolved within the glass matrix. Results show that samples north of 61.5 °N (category a) have low CO2 contents in both the vesicle (2-37 ppm) and dissolved (15-61 ppm) phases. The isotopic composition of the CO2 varies between -8 and -34‰ (vesicle) and -6 and -10‰ (glass). The combined effect of low CO2 concentrations and low δ13C values are consistent with extensive gas loss +/- contamination of volatile-poor magmas with an isotopically-light C component. In contrast, samples in category b have significantly higher CO2 abundances (vesicles: 7-318 ppm; glass: 9-200 ppm) and higher and less variable δ13C values (vesicles: -5 to -26‰ ; glass: -4 to -11‰ ). This suggests that category b samples have not been subjected to the same degree of degassing and/or contamination as samples in category a. By combining the vesicle-sited CO2 abundances with He-contents determined by crushing (Hilton, op. cit), CO2/3He ratios for the vesicle phase can be derived. We observe high ratios (3x109 to 2x1010) in the more degassed category a samples. Category b CO2/3He ratios show a trend from low CO2/3He values (3x108) and MORB-like 206Pb/204Pb to high CO2/3He values (up to 2x1010) and more radiogenic 206Pb/204Pb. There are two possible explanations for the observed trends: 1) degassing followed by contamination with a high CO2/3He crustal component. This process controls C-He relationships in low concentration (highly degassed) samples close to Iceland. 2) mixing between a MORB-like source (CO2/3He ~ 2x109) and an enriched source with a higher initial CO2/3He value. This process controls samples in category b.

Exact thermal density functional theory for a model system: Correlation components and accuracy of the zero-temperature exchange-correlation approximation

DOE PAGES

Smith, J. C.; Pribram-Jones, A.; Burke, K.

2016-06-14

Thermal density functional theory calculations often use the Mermin-Kohn-Sham scheme, but employ ground-state approximations to the exchange-correlation (XC) free energy. In the simplest solvable nontrivial model, an asymmetric Hubbard dimer, we calculate the exact many-body energies and the exact Mermin-Kohn-Sham functionals for this system and extract the exact XC free energy. For moderate temperatures and weak correlation, we find this approximation to be excellent. Here we extract various exact free-energy correlation components and the exact adiabatic connection formula.

Exact thermal density functional theory for a model system: Correlation components and accuracy of the zero-temperature exchange-correlation approximation

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

Smith, J. C.; Pribram-Jones, A.; Burke, K.

Thermal density functional theory calculations often use the Mermin-Kohn-Sham scheme, but employ ground-state approximations to the exchange-correlation (XC) free energy. In the simplest solvable nontrivial model, an asymmetric Hubbard dimer, we calculate the exact many-body energies and the exact Mermin-Kohn-Sham functionals for this system and extract the exact XC free energy. For moderate temperatures and weak correlation, we find this approximation to be excellent. Here we extract various exact free-energy correlation components and the exact adiabatic connection formula.

Erythrocyte hemolysis by detergents.

PubMed

Chernitsky, E A; Senkovich, O A

1997-01-01

The numbers of Triton X-100 and sodium dodecyl sulfate molecules required to form respective pores were estimated from the relationship between the detergent concentrations and the rates of fast and slow hemolysis components. It has been found that the slow hemolysis component evoked by Triton X-100 is related to the existence of two different pores. It is shown that the fast hemolysis component induced by sodium dodecyl sulfate is associated with the modification of phosphatidylcholine which determines the break in the Arrhenius plots of the hemolysis rate within the range of 20 degrees C. The shape of hemolysis kinetic curves and the dependence of hemolytic parameters on the detergent concentration and temperature are discussed based on the concept of hemolysis caused by the formation of pores in various membrane lipid regions and by releasing vesicles from erythrocytes.

Exact N 3LO results for qq ' → H + X

DOE PAGES

Anzai, Chihaya; Hasselhuhn, Alexander; Höschele, Maik; ...

2015-07-27

We compute the contribution to the total cross section for the inclusive production of a Standard Model Higgs boson induced by two quarks with different flavour in the initial state. Our calculation is exact in the Higgs boson mass and the partonic center-of-mass energy. Here, we describe the reduction to master integrals, the construction of a canonical basis, and the solution of the corresponding differential equations. Our analytic result contains both Harmonic Polylogarithms and iterated integrals with additional letters in the alphabet.

Multidimensional profiling of components in complex mixtures of natural products for metabolic analysis, proof of concept: application to Quillaja saponins.

PubMed

Bankefors, Johan; Nord, Lars I; Kenne, Lennart

2010-02-01

A method for separation and detection of major and minor components in complex mixtures has been developed, utilising two-dimensional high-performance liquid chromatography (2D-HPLC) combined with electrospray ionisation ion-trap multiple-stage mass spectrometry (ESI-ITMS(n)). Chromatographic conditions were matched with mass spectrometric detection to maximise the number of components that could be separated. The described procedure has proven useful to discern several hundreds of saponin components when applied to Quillaja saponaria Molina bark extracts. The discrimination of each saponin component relies on the fact that three coordinates (x, y, z) for each component can be derived from the retention time of the two chromatographic steps (x, y) and the m/z-values from the multiple-stage mass spectrometry (z(n), n=1, 2, ...). Thus an improved graphical representation was obtained by combining retention times from the two-stage separation with +MS(1) (z(1)) and the additional structural information from the second mass stage +MS(2) (z(2), z(3)) corresponding to the main fragment ions. By this approach three-dimensional plots can be made that reveal both the chromatographic and structural properties of a specific mixture which can be useful in fingerprinting of complex mixtures. 2009 Elsevier B.V. All rights reserved.

Rarefaction-driven Rayleigh–Taylor instability. Part 2. Experiments and simulations in the nonlinear regime

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

Morgan, R. V.; Cabot, W. H.; Greenough, J. A.

Experiments and large eddy simulation (LES) were performed to study the development of the Rayleigh–Taylor instability into the saturated, nonlinear regime, produced between two gases accelerated by a rarefaction wave. Single-mode two-dimensional, and single-mode three-dimensional initial perturbations were introduced on the diffuse interface between the two gases prior to acceleration. The rarefaction wave imparts a non-constant acceleration, and a time decreasing Atwood number,more » $$A=(\\unicode[STIX]{x1D70C}_{2}-\\unicode[STIX]{x1D70C}_{1})/(\\unicode[STIX]{x1D70C}_{2}+\\unicode[STIX]{x1D70C}_{1})$$, where$$\\unicode[STIX]{x1D70C}_{2}$$and$$\\unicode[STIX]{x1D70C}_{1}$$are the densities of the heavy and light gas, respectively. Experiments and simulations are presented for initial Atwood numbers of$A=0.49$$,$$A=0.63$$,$$A=0.82$$and$$A=0.94$$. Nominally two-dimensional (2-D) experiments (initiated with nearly 2-D perturbations) and 2-D simulations are observed to approach an intermediate-time velocity plateau that is in disagreement with the late-time velocity obtained from the incompressible model of Goncharov (Phys. Rev. Lett., vol. 88, 2002, 134502). Reacceleration from an intermediate velocity is observed for 2-D bubbles in large wavenumber,$$k=2\\unicode[STIX]{x03C0}/\\unicode[STIX]{x1D706}=0.247~\\text{mm}^{-1}$$, experiments and simulations, where$$\\unicode[STIX]{x1D706}$is the wavelength of the initial perturbation. At moderate Atwood numbers, the bubble and spike velocities approach larger values than those predicted by Goncharov’s model. These late-time velocity trends are predicted well by numerical simulations using the LLNL Miranda code, and by the 2009 model of Mikaelian (Phys. Fluids., vol. 21, 2009, 024103) that extends Layzer type models to variable acceleration and density. Large Atwood number experiments show a delayed roll up, and exhibit a free-fall like behaviour. Finally, experiments initiated with three-dimensional perturbations tend to agree better with models and a simulation using the LLNL Ares code initiated with an axisymmetric rather than Cartesian symmetry.« less

Rarefaction-driven Rayleigh–Taylor instability. Part 2. Experiments and simulations in the nonlinear regime

DOE PAGES

Morgan, R. V.; Cabot, W. H.; Greenough, J. A.; ...

2018-01-12

Experiments and large eddy simulation (LES) were performed to study the development of the Rayleigh–Taylor instability into the saturated, nonlinear regime, produced between two gases accelerated by a rarefaction wave. Single-mode two-dimensional, and single-mode three-dimensional initial perturbations were introduced on the diffuse interface between the two gases prior to acceleration. The rarefaction wave imparts a non-constant acceleration, and a time decreasing Atwood number,more » $$A=(\\unicode[STIX]{x1D70C}_{2}-\\unicode[STIX]{x1D70C}_{1})/(\\unicode[STIX]{x1D70C}_{2}+\\unicode[STIX]{x1D70C}_{1})$$, where$$\\unicode[STIX]{x1D70C}_{2}$$and$$\\unicode[STIX]{x1D70C}_{1}$$are the densities of the heavy and light gas, respectively. Experiments and simulations are presented for initial Atwood numbers of$A=0.49$$,$$A=0.63$$,$$A=0.82$$and$$A=0.94$$. Nominally two-dimensional (2-D) experiments (initiated with nearly 2-D perturbations) and 2-D simulations are observed to approach an intermediate-time velocity plateau that is in disagreement with the late-time velocity obtained from the incompressible model of Goncharov (Phys. Rev. Lett., vol. 88, 2002, 134502). Reacceleration from an intermediate velocity is observed for 2-D bubbles in large wavenumber,$$k=2\\unicode[STIX]{x03C0}/\\unicode[STIX]{x1D706}=0.247~\\text{mm}^{-1}$$, experiments and simulations, where$$\\unicode[STIX]{x1D706}$is the wavelength of the initial perturbation. At moderate Atwood numbers, the bubble and spike velocities approach larger values than those predicted by Goncharov’s model. These late-time velocity trends are predicted well by numerical simulations using the LLNL Miranda code, and by the 2009 model of Mikaelian (Phys. Fluids., vol. 21, 2009, 024103) that extends Layzer type models to variable acceleration and density. Large Atwood number experiments show a delayed roll up, and exhibit a free-fall like behaviour. Finally, experiments initiated with three-dimensional perturbations tend to agree better with models and a simulation using the LLNL Ares code initiated with an axisymmetric rather than Cartesian symmetry.« less

Single crystals of the fluorite nonstoichiometric phase Eu{0.916/2+}Eu{0.084/3+}F2.084 (conductivity, transmission, and hardness)

NASA Astrophysics Data System (ADS)

Sobolev, B. P.; Turkina, T. M.; Sorokin, N. I.; Karimov, D. N.; Komar'kova, O. N.; Sulyanova, E. A.

2010-07-01

The nonstoichiometric phase EuF2+ x has been obtained via the partial reduction of EuF3 by elementary Si at 900-1100°C. Eu{0.916/2+}Eu{0.084/3+}F2.084 (EuF2.084) single crystals have been grown from melt by the Bridgman method in a fluorinating atmosphere. These crystals belong to the CaF2 structure type (sp. gr. Fm bar 3 m) with the cubic lattice parameter a = 5.8287(2) Å, are transparent in the spectral range of 0.5-11.3 μm, and have microhardness H μ = 3.12 ± 0.13 GPa and ionic conductivity σ = 1.4 × 10-5 S/cm at 400°C with the ion transport activation energy E a = 1.10 ± 0.05 eV. The physicochemical characteristics of the fluorite phases in the EuF2 - EuF3 systems are similar to those of the phases in the SrF2 - EuF3 and SrF2 - GdF3 systems due to the similar lattice parameters of the EuF2 and SrF2 components. Europium difluoride supplements the list of fluorite components MF2 ( M = Ca, Sr, Ba, Cd, Pb), which are crystal matrices for nonstoichiometric (nanostructured) fluoride materials M 1 - x R x F2 + x ( R are rare earth elements).

ROSAT PSPC observations of two X-ray-faint early-type galaxies: NGC 4365 and NGC 4382

NASA Technical Reports Server (NTRS)

Fabbiano, G.; Kim, D.-W.; Trinchieri, G.

1994-01-01

We present the results of ROSAT Positive Sensitive Proportional Counter (PSPC) observations of the two early-type galaxies NGC 4365 and NGC 4382. These galaxies are among those observed with Einstein to have the lowest X-ray to optical flux ratios of early-type galaxies. The PSCP data show that for radii r greater than 50 arcsec the radial distributions of the X-ray surface brightness are consistent with the optical distributions of King (1978). We also find that these galaxies have X-ray spectra significantly different from those observed in X-ray-bright ellipticals, with a relative excess of counts detected in the softest spectral channels. This confirms earlier Einstein results. The characteristics of the ROSAT PSPC do not allow us to discriminate between possible spectral models. If we adopt a two-component thermal model on the grounds of physical plausibility, we find that the spectral data can be fitted with a very soft optically thin component, with kT approximately 0.2 keV, and a hard component with kT greater than (1.0-1.5) keV. The hard component has a luminosity consistent with that expected from the integrated emission of a population of low mass-X-ray binaries in these galaxies; the nature of the very soft component is more speculative. Candidates include the coronal emission of late-type stars, supersoft X-ray sources, RS CVn, and perhaps a hot Interstellar Medium (ISM). Alternatively, the spectal data may be fitted with a 0.6-1 keV bremsstrahlung spectrum (expontential plus Gaunt), and may suggest the presence of a totally new population of X-ray sources.

Interaction of Ce{sub 1−x}Er{sub x}O{sub 2−y} nanoparticles with SiO{sub 2}-effect of temperature and atmosphere

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

Kepinski, L., E-mail: L.Kepinski@int.pan.wroc.pl; Krajczyk, L.; Mista, W.

2014-01-15

Morphology, microstructure and phase evolution of homogeneous, nanocrystalline Ce{sub 1−x}Er{sub x}O{sub 2−x/2} mixed oxide (x=0.3 and 0.5), prepared by microemulsion method, supported on amorphous SiO{sub 2} was studied in oxidizing and reducing atmosphere by XRD, TEM, SEM-EDS and N{sub 2} adsorption. The system is structurally and chemically stable in the oxidizing atmosphere up to 1000 °C, exhibiting only a small increase of the mean crystallite size of the oxide to ∼4 nm. At 1100 °C formation of Er silicate with unusual structure isomorphic with y-Y{sub 2}Si{sub 2}O{sub 7} (yttrialite), stabilized by Ce{sup 4+} ions was observed. In the reducing atmospheremore » the Ce{sub 1−x}Er{sub x}O{sub 2−x/2} reacted with SiO{sub 2} already at 900 °C, due to high affinity of the reduced Ce{sup 3+} to form a silicate phase. At higher temperature the silicate crystallized into the tetragonal, low temperature A-(Ce{sub 1−x}Er{sub x}){sub 2}Si{sub 2}O{sub 7} polymorph. Such systems, containing nanocrystalline silicate particles with Er{sup 3+} ions placed in well defined sites embedded in silica matrix, may be interesting as highly efficient active components of optical waveguides amplifiers integrated with Si microelectronics. The nanocrystalline Ce–Er–O/SiO{sub 2} system prepared by the impregnation of the silica with the aqueous solution of nitrates appeared to be chemically inhomogeneous and less stable in both oxidising and reducing atmosphere. - Graphical abstract: Structure evolution of Ce{sub 0.5}Er{sub 0.5}O{sub 1.75} in air and in H{sub 2}. Display Omitted - Highlights: • Homogeneous 3 nm Ce{sub 1−x}Er{sub x}O{sub 2−y} particles were prepared and uniformly dispersed on SiO{sub 2}. • Er diffusion to SiO{sub 2} determines the stability of the mixed oxide in air to ∼1000 °C. • Spreading of Ce{sub 1−x}Er{sub x}O{sub 2−y} onto SiO{sub 2} occurs in hydrogen at 900 °C. • Nanocrystalline A-(Ce,Er){sub 2}Si{sub 2}O{sub 7} silicate forms in H{sub 2} at 1100 °C.« less

Robust Controller Design: A Bounded-Input-Bounded-Output Worst-Case Approach

DTIC Science & Technology

1992-03-01

show that 2 implies 1, suppose 1 does not hold, i.e., that p(M) > 1. The Perron - Frobenius theory for nonnegative matrices states that p(M) is itself an...Pz denote the positive cones inside X, Z consisting of elements with nonnegative pointwise components. Define the operator .4 : X -* Z, decomposed...topology.) The dual cone P! again consists of the nonnegative elements in Z*. The Lagrangian can be defined as L(x,z ’) {< x,c" > + < Ax - b,z

Complement component C5a mediates hemorrhage-induced intestinal damage

PubMed Central

Fleming, Sherry D.; Phillips, Lauren M.; Lambris, John D.; Tsokos, George C.

2008-01-01

Background Complement has been implicated in the pathogenesis of intestinal damage and inflammation in multiple animal models. Although the exact mechanism is unknown, inhibition of complement prevents hemodynamic alterations in hemorrhage. Materials/Methods C57Bl/6, complement 5 deficient (C5−/−) and sufficient (C5+/+) mice were subjected to 25% blood loss. In some cases, C57Bl/6 mice were treated with C5a receptor antagonist (C5aRa) post-hemorrhage. Intestinal injury, leukotriene B4, and myeloperoxidase production were assessed for each treatment group of mice. Results Mice subjected to significant blood loss without major trauma develop intestinal inflammation and tissue damage within two hours. We report here that complement 5 (C5) deficient mice are protected from intestinal tissue damage when subjected to hemorrhage (Injury score = 0.36 compared to wildtype hemorrhaged animal injury score = 2.89; p<0.05). We present evidence that C5a represents the effector molecule because C57Bl/6 mice treated with a C5a receptor antagonist displayed limited intestinal injury (Injury score = 0.88), leukotriene B4 (13.16 pg/mg tissue) and myeloperoxidase (115.6 pg/mg tissue) production compared to hemorrhaged C57Bl/6 mice (p<0.05). Conclusion Complement activation is important in the development of hemorrhage-induced tissue injury and C5a generation is critical for tissue inflammation and damage. Thus, therapeutics targeting C5a may be useful therapeutics for hemorrhage-associated injury. PMID:18639891

The X-Ray Core of the Low-Luminosity Radio Galaxy 3C346 and ASCA Spectroscopy to Test BL LAC/Radio Galaxy Unification

NASA Technical Reports Server (NTRS)

Worrall, Diana

2000-01-01

Radio galaxies are relatively faint sources for Advanced Spacecraft for Cosmology Astrophysics (ASCA), and so in order to get the best possible results from the observations two things have been necessary, both of which delayed the fast preparation of papers. Firstly, the best possible data screening and background subtraction were necessary to improve the signal-to-noise, and all our several initial analysis trials were discarded in favor of using FTOOLS versions 4.1 and above. Secondly, we found that the ASCA spectra were statistically too poor to discriminate well between non-thermal and thermal models, never mind the mixture of the two which we expected on the basis of our ROSAT spatial separation of components in radio galaxies. This means that in each case we have needed to combine the ASCA spectroscopy with analysis of data from other X-ray or radio observations in order to exploit the ASCA data to the full. Our analysis for 3C 346 has yielded the cleanest final result. This powerful radio galaxy at a redshift of 0.161, lies in a poor cluster, which we have separated well from the dominant X-ray component of unresolved emission using a spatial analysis of archival ROSAT data. We were then able to fix the thermal component in our ASCA spectral analysis, and have found evidence that the unresolved emission varied by 32 +/- 13% over the 18 months between the ROSAT and ASCA observations. The unresolved X-ray emission does not suffer from intrinsic absorption, and we have related it to radio structures on both milliarcsecond scales and the arcsecond scales which Chandra can resolve. The source is a target of a Chandra AO2 proposal which we have recently submitted to follow up on our ASCA (and ROSAT) work. 3C 346's orientation to the line of sight is uncertain. However, the absence of X-ray absorption, and the radio/optical/X-ray colors, when combined with with previous radio evidence that the source is a foreshortened radio galaxy of the FRII class, suggest that the radio jets are seen at an angle to the line of sight of about 30 deg, intermediate between the radio-galaxy and quasar classes. The relatively hard ASCA response has allowed us to place an upper limit of 5.6 x 10(exp 43) ergs/ s on the 2-10 keV luminosity of any central X-ray component absorbed bN, gas which might be obscuring the broad-line emission region. Attached to this report is an almost final draft of a paper which we have prepared for submission to the Astrophysical Journal. Our combined ASCA and ROSAT results for NGC 6251 rule out our previously preferred flat-spectrum model and inverse-Compton interpretation for the source based on ROSAT data alone, but a softer X-ray spectrum and moderate absorption bring all the available data (including our early VLA HI measurements) into consistency, and we are reasonably confident that we understand the processes responsible for the X-ray emission. We have made some more sensitive HI absorption measurements which are currently being analyzed, and our plans are to publish our ASCA analysis in conjunction with the new HI results. The ASCA data for NGC 4261 have been difficult to interpret. A re-analysis of our ROSAT data with a wider range of physical parameters brings the ROSAT and ASCA results into reasonable agreement only if the emission from hot gas dominates more than suggested by our earlier work, which is itself unexpected since the radio core is bright and a large jet-related X-ray component would bring the source into agreement with results for others of its type. However, we have recently received our Chandra A01 data for this source, with the spatial resolution which allows us to separate thermal and non-thermal emission components. Our ASCA results will be re-interpreted once the analysis of our Chandra data is complete. The interpretation of the ASCA data for BL Lac object 3C 371 is ongoing, in conjunction with analysis of archival multifrequency data. Radio galaxies are complex in their X-ray properties, and hindsight has shown that the spatial resolution of ASCA is too poor for a reliable interpretation of the data without drawing on other observations. However, the ASCA spectra have made a useful contribution to the interpretation of these sources, and the groundwork is now there for more sensitive work using Chandra and XMM-Newton.

Reproduction of exact solutions of Lipkin model by nonlinear higher random-phase approximation

NASA Astrophysics Data System (ADS)

Terasaki, J.; Smetana, A.; Šimkovic, F.; Krivoruchenko, M. I.

2017-10-01

It is shown that the random-phase approximation (RPA) method with its nonlinear higher generalization, which was previously considered as approximation except for a very limited case, reproduces the exact solutions of the Lipkin model. The nonlinear higher RPA is based on an equation nonlinear on eigenvectors and includes many-particle-many-hole components in the creation operator of the excited states. We demonstrate the exact character of solutions analytically for the particle number N = 2 and numerically for N = 8. This finding indicates that the nonlinear higher RPA is equivalent to the exact Schrödinger equation.

Elucidating the interaction between Ni and CeO x in ethanol steam reforming catalysts: A perspective of recent studies over model and powder systems

DOE PAGES

Liu, Zongyuan; Senanayake, Sanjaya D.; Rodriguez, Jose A.

2016-11-15

Bulk metallic nickel is a poor catalyst for the reforming of oxygenates being deactivated by the deposition of coke. In contrast, Ni-ceria is an active system for the catalytic extraction of H 2 from the ethanol steam reforming reaction (ESR, C 2H 5OH + 3H 2O ↔ 2CO 2 + 6H 2). Numerous studies, with model (well-defined crystal surfaces) and technical (high surface area powders) catalysts, have been devoted to understand the fundamental role of each catalyst component, the performance of adjacent sites in the metal-oxide interface, and the complex mechanistic steps that convert two oxygenated reactants (ethanol and Hmore » 2O) into H 2. The size and low loading of Ni on ceria facilitate metal-oxide support interactions that probably enhance the reactivity of the system. To establish the precise role of both Ni and Ce is challenging. However it is clear that both Ni and Ce are associated with the dissociation of H 2O (OH + H), while ceria readily adsorbs and partially dissociates ethanol (i.e. ethoxy formation). The most difficult step of Csingle bondC bond dissociation likely occurs only on Ni or at the Ni-Ce interface. H 2O and OH remain as important agents for the prevention of excess C build up during the Csingle bondH/Csingle bondC dissociation process. Often, deactivation upon C build up, is a direct result of Ni sintering and decoupling of the Ni-Ce interactions. One strategy to maintain good activity and stability is to protect the Ni-Ce interaction, and this can be achieved through the use of solid solutions (Ce 1–xNi xO 2–y) or by employing stabilizing agents such as W (Ni xW yCe zO 2). In this paper, we present and discuss the most recent work for the ESR reaction and show the important role of ceria which participates directly in the reaction and also enhances catalytic activity through metal-support interactions.« less

2,2‧,2″-Thiotris(acetic acid) betaine, S(CH2COOH)2(CH2COO), and 2,2‧,2″-selenotris(acetic acid) betaine, Se(CH2COOH)2(CH2COO)

NASA Astrophysics Data System (ADS)

Doudin, Khalid; Törnroos, Karl W.

2017-04-01

The title compounds, X(CH2COOH)2(CH2COO), X = S, 1, and X = Se, 2, have been characterised by FTIR, NMR and MS and by their crystal structures at 123(2) K. The FTIR spectra show two major peaks, at 1396 and 1731 cm-1 in 1 and at 1390 and 1721 cm-1 in 2. The 77Se NMR signal of 2 at 325.5 ppm is 83.4 ppm downfield from the signal of Se(CH2COOH)2 indicating a substantial selenonium character of 2. The two compounds are isostructural and have a pyramidal configuration. The C-X-C bond angles range from 99.29 to 103.14° in 1 and from 97.56 to 99.87° in 2. The Xsbnd Csbnd Cdbnd O torsion angles for the three substituents are most different; one of the carboxylic acid groups attains the anti-conformation with rather short S⋯O(H) and Se⋯O(H) distances, 2.744 and 2.750 Å, the other acid group is synclinal and with longer S⋯Odbnd C and Se⋯Odbnd C distances, 3.063 and 3.090 Å, whereas the carboxylate group is in the Xsbnd Csbnd C plane with X⋯Osbnd C distances of 2.869 and 2.908 Å in 1 and 2. The presence of these strong X⋯O interactions is suggested to be the cause for the very low Bronsted basicity of this class of betaines preventing salts of the corresponding acids, the presently unknown [X(CH2COOH)3]+ - cations, to be isolated. The molecules are linked together with two fairly strong but different hydrogen bonds to the carboxylate oxygen atoms with O⋯O distances of 2.493 and 2.580 Å in 1 and 2.489 and 2.581 Å in 2 and with one X⋯Odbnd C contact, 3.244 Å in 1 and 3.209 Å in 2. The carbonyl oxygen atoms do not participate significantly in intermolecular hydrogen bonding and there are no contacts between the heteroatoms.

Atmospheric fate of hydrofluoroolefins, CxF2x+1CHCH2 (x = 1,2,3,4 and 6): Kinetics with Cl atoms and products.

PubMed

Ballesteros, Bernabé; Jiménez, Elena; Moreno, Alberto; Soto, Amparo; Antiñolo, María; Albaladejo, José

2017-01-01

Rate coefficients for the gas-phase reactions of C x F 2x+1 CHCH 2 (x = 1, 2, 3, 4 and 6) with Cl atoms were determined at (298 ± 2) K and (710 ± 5) Torr of air using a relative rate technique. Two experimental setups with simulation chambers were employed with Fourier Transform Infrared (FTIR) spectroscopy and Gas Chromatography coupled to Mass Spectrometry (GC-MS) as detection techniques. The Cl-rate coefficients obtained were (in 10 -10  cm 3  molecule -1  s -1 ): (0.85 ± 0.11) for CF 3 CHCH 2 , (1.11 ± 0.08) for C 2 F 5 CHCH 2 , (1.12 ± 0.18) for C 3 F 7 CHCH 2 , (0.97 ± 0.09) for C 4 F 9 CHCH 2 , and (0.99 ± 0.08) for C 6 F 13 CHCH 2 . Additionally, the gas-phase products were identified and quantified, when possible, by FTIR spectroscopy or GC-MS. The main reaction product was reported to be C x F 2x+1 C(O)CH 2 Cl. The fluorinated species, C x F 2x+1 CHO and C x F 2x+1 C(O)CH 2 Cl, were identified. CF 3 C(O)CH 2 Cl and CF 3 CHO were found to be formed with molar yield of (69 ± 5)% and (9 ± 1)%, respectively. The global lifetime of the investigated C x F 2x+1 CHCH 2 due to their Cl-reaction is more than 100 days so this route does not compete with the removal by OH radicals. This lifetime is long enough for C x F 2x+1 CHCH 2 to be transported to remote areas where they can be degraded. However, at a local scale, in marine regions at dawn the removal of C x F 2x+1 CHCH 2 is expected to occur in ca. 1 day. The atmospheric degradation of these hydrofluoroolefins by Cl atoms is not expected to be a source of bioaccumulative perfluorinated carboxylic acids, C x F 2x+1 C(O)OH. Additionally, the UV absorption cross sections of CF 3 C(O)CH 2 Cl were determined together with the rate coefficient of the OH reaction by an absolute kinetic method at room temperature. Copyright © 2016 Elsevier Ltd. All rights reserved.

Millisecond accuracy video display using OpenGL under Linux.

PubMed

Stewart, Neil

2006-02-01

To measure people's reaction times to the nearest millisecond, it is necessary to know exactly when a stimulus is displayed. This article describes how to display stimuli with millisecond accuracy on a normal CRT monitor, using a PC running Linux. A simple C program is presented to illustrate how this may be done within X Windows using the OpenGL rendering system. A test of this system is reported that demonstrates that stimuli may be consistently displayed with millisecond accuracy. An algorithm is presented that allows the exact time of stimulus presentation to be deduced, even if there are relatively large errors in measuring the display time.

Refining the pH response in A spergillus nidulans: a modulatory triad involving PacX, a novel zinc binuclear cluster protein

PubMed Central

Bussink, Henk‐Jan; Bignell, Elaine M.; Múnera‐Huertas, Tatiana; Lucena‐Agell, Daniel; Scazzocchio, Claudio; Espeso, Eduardo A.; Bertuzzi, Margherita; Rudnicka, Joanna; Negrete‐Urtasun, Susana; Peñas‐Parilla, Maria M.; Rainbow, Lynne; Peñalva, Miguel Á.; Arst, Herbert N.

2015-01-01

Summary The A spergillus nidulans PacC transcription factor mediates gene regulation in response to alkaline ambient pH which, signalled by the Pal pathway, results in the processing of PacC72 to PacC27 via PacC53. Here we investigate two levels at which the pH regulatory system is transcriptionally moderated by pH and identify and characterise a new component of the pH regulatory machinery, PacX. Transcript level analysis and overexpression studies demonstrate that repression of acid‐expressed pal F, specifying the Pal pathway arrestin, probably by PacC27 and/or PacC53, prevents an escalating alkaline pH response. Transcript analyses using a reporter and constitutively expressed pac C  trans‐alleles show that pac C preferential alkaline‐expression results from derepression by depletion of the acid‐prevalent PacC72 form. We additionally show that pac C repression requires PacX. pac X mutations suppress PacC processing recalcitrant mutations, in part, through derepressed PacC levels resulting in traces of PacC27 formed by pH‐independent proteolysis. pac X was cloned by impala transposon mutagenesis. PacX, with homologues within the Leotiomyceta, has an unusual structure with an amino‐terminal coiled‐coil and a carboxy‐terminal zinc binuclear cluster. pacX mutations indicate the importance of these regions. One mutation, an unprecedented finding in A . nidulans genetics, resulted from an insertion of an endogenous Fot1‐like transposon. PMID:26303777

Current-induced vortex motion and the vortex-glass transition in YBa{sub 2}Cu{sub 3}O{sub y} films

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

Nojima, T.; Kakinuma, A.; Kuwasawa, Y.

1997-12-01

Measurements of current-voltage characteristics have been performed on YBa{sub 2}Cu{sub 3}O{sub y} films for two components of electric fields in the ab plane, E{sub x} and E{sub y}, in magnetic fields of the form (H{sub 0},H{sub 0},{delta}H{sub 0}), where x {parallel} the current density J, z {parallel} the c axis, and {delta}{lt}1. The simultaneous measurements of E{sub x} and E{sub y} under these conditions make it possible to analyze the situation of the vortex motion due to the Lorentz force. Our results indicate that vortices move as long-range correlated lines only below the glass transition temperature in a low-current limit.more » We also show that applying high-current density destroys line motion and induces a structural change of vortex lines in the glass state. {copyright} {ital 1997} {ital The American Physical Society}« less

Seasonal characterization of CDOM for lakes in semiarid regions of Northeast China using excitation-emission matrix fluorescence and parallel factor analysis (EEM-PARAFAC)

NASA Astrophysics Data System (ADS)

Zhao, Ying; Song, Kaishan; Wen, Zhidan; Li, Lin; Zang, Shuying; Shao, Tiantian; Li, Sijia; Du, Jia

2016-03-01

The seasonal characteristics of fluorescent components in chromophoric dissolved organic matter (CDOM) for lakes in the semiarid region of Northeast China were examined by excitation-emission matrix (EEM) spectra and parallel factor analysis (PARAFAC). Two humic-like (C1 and C2) and protein-like (C3 and C4) components were identified using PARAFAC. The average fluorescence intensity of the four components differed under seasonal variation from June and August 2013 to February and April 2014. Components 1 and 2 exhibited a strong linear correlation (R2 = 0.628). Significantly positive linear relationships between CDOM absorption coefficients a(254) (R2 = 0.72, 0.46, p < 0.01), a(280) (R2 = 0.77, 0.47, p < 0.01), a(350) (R2 = 0.76, 0.78, p < 0.01) and Fmax for two humic-like components (C1 and C2) were exhibited, respectively. A significant relationship (R2 = 0.930) was found between salinity and dissolved organic carbon (DOC). However, almost no obvious correlation was found between salinity and EEM-PARAFAC-extracted components except for C3 (R2 = 0.469). Results from this investigation demonstrate that the EEM-PARAFAC technique can be used to evaluate the seasonal dynamics of CDOM fluorescent components for inland waters in the semiarid regions of Northeast China, and to quantify CDOM components for other waters with similar environmental conditions.

Isomer-specific determination of 4-nonylphenols using comprehensive two-dimensional gas chromatography/time-of-flight mass spectrometry.

PubMed

Eganhouse, Robert P; Pontolillo, James; Gaines, Richard B; Frysinger, Glenn S; Gabriel, Frédéric L P; Kohler, Hans-Peter E; Giger, Walter; Barber, Larry B

2009-12-15

Technical nonylphenol (tNP), used for industrial production of nonylphenol polyethoxylate surfactants, is a complex mixture of C(3-10)-phenols. The major components, 4-nonylphenols, are weak endocrine disruptors whose estrogenicities vary according to the structure of the branched nonyl group. Thus, accurate risk assessment requires isomer-specific determination of 4-NPs. Comprehensive two-dimensional gas chromatography/time-of-flight mass spectrometry (GC x GC/ToFMS) was used to characterize tNP samples obtained from seven commercial suppliers. Under optimal chromatographic conditions, 153-204 alkylphenol peaks, 59-66 of which were identified as 4-NPs, were detected. The 4-NPs comprised approximately 86-94% of tNP, with 2-NPs and decylphenols making up approximately 2-9% and approximately 2-5%, respectively. The tNP products were analyzed for eight synthetic 4-NP isomers, and results were compared with published data based on GC/MS analysis. Significant differences were found among the products and between two samples from a single supplier. The enhanced resolution of GC x GC coupled with fast mass spectral data acquisition by ToFMS facilitated identification of all major 4-NP isomers and a number of previously unrecognized components. Analysis of tNP altered by the bacterium, Sphingobium xenophagum Bayram, revealed several persistent 4-NPs whose structures and estrogenicities are presently unknown. The potential of this technology for isomer-specific determination of 4-NP isomers in environmental matrices is demonstrated using samples of wastewater-contaminated groundwater and municipal wastewater.

Isomer-specific determination of 4-nonylphenols using comprehensive two-dimensional gas chromatography/time-of-flight mass spectrometry

USGS Publications Warehouse

Eganhouse, R.P.; Pontolillo, J.; Gaines, R.B.; Frysinger, G.S.; Gabriel, F.L.P.; Kohler, H.-P.E.; Giger, W.; Barber, L.B.

2009-01-01

Technical nonylphenol (tNP), used for industrial production of nonylphenol polyethoxylate surfactants, is a complex mixture of C3-10-phenols. The major components, 4-nonylphenols, are weak endocrine disruptors whose estrogenicities vary according to the structure of the branched nonyl group. Thus, accurate risk assessment requires isomer-specific determination of 4-NPs. Comprehensive two-dimensional gas chromatography/time-of-flight mass spectrometry (GC x GC/ ToFMS) was used to characterize tNP samples obtained from seven commercial suppliers. Under optimal chromatographic conditions, 153-204 alkylphenol peaks, 59-66 of which were identified as 4-NPs, were detected. The 4-NPs comprised ???86-94% of tNP, with 2-NPs and decylphenols making up???2-9%and???2-5%, respectively. The tNP products were analyzed for eight synthetic 4-NP isomers, and results were compared with published data based on GC/ MS analysis. Significant differences were found among the products and between two samples from a single supplier. The enhanced resolution of GC x GC coupled with fast mass spectral data acquisition by ToFMS facilitated identification of all major 4-NP isomers and a number of previously unrecognized components. Analysis of tNP altered by the bacterium, Sphingobium xenophagum Bayram, revealed several persistent 4-NPs whose structures and estrogenicities are presently unknown. The potential of this technology for isomer-specific determination of 4-NP isomers in environmental matrices is demonstrated using samples of wastewatercontaminated groundwater and municipal wastewater. ?? 2009 American Chemical Society.

Reactions of the linear tetranuclear complex Ru sub 4 (CO) sub 10 (CH sub 3 C double bond C(H)C(H) double bond N-i-Pr) sub 2 with oxidizing reagents. Syntheses of halide-bridged (Ru(CO) sub 2 X(CH sub 3 C double bond C(H)C(H) double bond N-i-Pr)) sub 2 and fac-Ru(CO) sub 3 X(CH sub 3 C double bond C(H)C(H) double bond N-i-Pr)

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

Mul, W.P.; Elsevier, C.J.; van Leijen, M.

1991-01-01

The linear tetranuclear complex Ru{sub 4}(CO){sub 10}(CH{sub 3}C{double bond}C(H)C(H){double bond}N-i-Pr){sub 2} (1), containing two {eta}{sup 5}-azaruthenacyclopentadienyl systems, reacts with oxidizing reagents (I{sub 2}, Br{sub 2}, NBS, CCl{sub 4}) at elevated temperatures (40-90C) in heptane or benzene to give the new dimeric halide-bridged organoruthenium(II) complexes (Ru(CO){sub 2}X(CH{sub 3}C{double bond}C(H)C(H){double bond}N-i-Pr)){sub 2} (X = I (3a), X = Br (3b), Cl (3c); yield 30-80%) together with (Ru(CO){sub 3}X{sub 2}){sub 2}. The reactions of 1 with CX{sub 4} (X = I, Br, Cl) are accelerated by CO, probably because Ru{sub 4}(CO){sub 12}(CH{sub 3}C{double bond}C(H)C(H){double bond}N-i-Pr){sub 2} (5), which contains two unbridged metal-metal bonds,more » is formed prior to oxidation. The halide-bridged dimers 3a-c are obtained as mixtures of four isomers, the configurations of which are discussed. Splitting of the halide bridges takes place when a solution of 3a-c is saturated with CO, whereby mononuclear fac-Ru(CO){sub 3}X(CH{sub 3}C{double bond}C(H)C(H){double bond}N-i-Pr) (4a-c) is obtained. This process is reversible; ie., passing a stream of nitrogen through a solution of 4a-c or removal of the solvent under vacuum causes the reverse reaction with reformation of 3a-c. Compounds 3a-c and 4a-c have been characterized by IR (3, 4), FD mass (3), {sup 1}H (3, 4), and {sup 13}C{l brace}H{r brace} NMR (4) spectroscopy and satisfactory elemental analyses have been obtained for 3a-c. Compounds 3 and 4 are suitable precursors for the preparation of new homo- and heteronuclear transition-metal complexes.« less

The metabolic signature associated with the Western dietary pattern: a cross-sectional study.

PubMed

Bouchard-Mercier, Annie; Rudkowska, Iwona; Lemieux, Simone; Couture, Patrick; Vohl, Marie-Claude

2013-12-11

Metabolic profiles have been shown to be associated to obesity status and insulin sensitivity. Dietary intakes influence metabolic pathways and therefore, different dietary patterns may relate to modifications in metabolic signatures. The objective was to verify associations between dietary patterns and metabolic profiles composed of amino acids (AAs) and acylcarnitines (ACs). 210 participants were recruited in the greater Quebec City area between September 2009 and December 2011. Dietary patterns had been previously derived using principal component analysis (PCA). The Prudent dietary pattern was characterised by higher intakes of vegetables, fruits, whole grain products, non-hydrogenated fat and lower intakes of refined grain products, whereas the Western dietary pattern was associated with higher intakes of refined grain products, desserts, sweets and processed meats. Targeted metabolites were quantified in 37 participants with the Biocrates Absolute IDQ p150 (Biocrates Life Sciences AG, Austria) mass spectrometry method (including 14 amino acids and 41 acylcarnitines). PCA analysis with metabolites including AAs and ACs revealed two main components explaining the most variance in overall data (13.8%). PC1 was composed mostly of medium- to long-chain ACs (C16:2, C14:2, C14:2-OH, C16, C14:1-OH, C14:1, C10:2, C5-DC/C6-OH, C12, C18:2, C10, C4:1-DC/C6, C8:1 and C2) whereas PC2 included certain AAs and short-chain ACs (xLeu, Met, Arg, Phe, Pro, Orn, His, C0, C3, C4 and C5). The Western dietary pattern correlated negatively with PC1 and positively with PC2 (r = -0.34, p = 0.05 and r = 0.38, p = 0.03, respectively), independently of age, sex and BMI. These findings suggest that the Western dietary pattern is associated with a specific metabolite signature characterized by increased levels of AAs including branched-chain AAs (BCAAs) and short-chain ACs.

Dislocation structure in textured zirconium tensile-deformed along rolling and transverse directions determined by X-ray diffraction line profile analysis

NASA Astrophysics Data System (ADS)

Fan, Zhijian; Jóni, Bertalan; Xie, Lei; Ribárik, Gábor; Ungár, Tamás

2018-04-01

Specimens of cold-rolled zirconium were tensile-deformed along the rolling (RD) and the transverse (TD) directions. The stress-strain curves revealed a strong texture dependence. High resolution X-ray line profile analysis was used to determine the prevailing active slip-systems in the specimens with different textures. The reflections in the X-ray diffraction patterns were separated into two groups. One group corresponds to the major and the other group to the random texture component, respectively. The dislocation densities, the subgrain size and the prevailing active slip-systems were evaluated by using the convolutional multiple whole profile (CMWP) procedure. These microstructure parameters were evaluated separately in the two groups of reflections corresponding to the two different texture components. Significant differences were found in both, the evolution of dislocation densities and the development of the fractions of and type slip systems in the RD and TD specimens during tensile deformation. The differences between the RD and TD stress-strain curves are discussed in terms of the differences of the microstructure evolution.

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

Liu, Zongyuan; Senanayake, Sanjaya D.; Rodriguez, Jose A.

Bulk metallic nickel is a poor catalyst for the reforming of oxygenates being deactivated by the deposition of coke. In contrast, Ni-ceria is an active system for the catalytic extraction of H 2 from the ethanol steam reforming reaction (ESR, C 2H 5OH + 3H 2O ↔ 2CO 2 + 6H 2). Numerous studies, with model (well-defined crystal surfaces) and technical (high surface area powders) catalysts, have been devoted to understand the fundamental role of each catalyst component, the performance of adjacent sites in the metal-oxide interface, and the complex mechanistic steps that convert two oxygenated reactants (ethanol and Hmore » 2O) into H 2. The size and low loading of Ni on ceria facilitate metal-oxide support interactions that probably enhance the reactivity of the system. To establish the precise role of both Ni and Ce is challenging. However it is clear that both Ni and Ce are associated with the dissociation of H 2O (OH + H), while ceria readily adsorbs and partially dissociates ethanol (i.e. ethoxy formation). The most difficult step of Csingle bondC bond dissociation likely occurs only on Ni or at the Ni-Ce interface. H 2O and OH remain as important agents for the prevention of excess C build up during the Csingle bondH/Csingle bondC dissociation process. Often, deactivation upon C build up, is a direct result of Ni sintering and decoupling of the Ni-Ce interactions. One strategy to maintain good activity and stability is to protect the Ni-Ce interaction, and this can be achieved through the use of solid solutions (Ce 1–xNi xO 2–y) or by employing stabilizing agents such as W (Ni xW yCe zO 2). In this paper, we present and discuss the most recent work for the ESR reaction and show the important role of ceria which participates directly in the reaction and also enhances catalytic activity through metal-support interactions.« less

Penta-P2X (X=C, Si) monolayers as wide-bandgap semiconductors: A first principles prediction

NASA Astrophysics Data System (ADS)

Naseri, Mosayeb; Lin, Shiru; Jalilian, Jaafar; Gu, Jinxing; Chen, Zhongfang

2018-06-01

By means of density functional theory computations, we predicted two novel two-dimensional (2D) nanomaterials, namely P2X (X=C, Si) monolayers with pentagonal configurations. Their structures, stabilities, intrinsic electronic, and optical properties as well as the effect of external strain to the electronic properties have been systematically examined. Our computations showed that these P2C and P2Si monolayers have rather high thermodynamic, kinetic, and thermal stabilities, and are indirect semiconductors with wide bandgaps (2.76 eV and 2.69 eV, respectively) which can be tuned by an external strain. These monolayers exhibit high absorptions in the UV region, but behave as almost transparent layers for visible light in the electromagnetic spectrum. Their high stabilities and exceptional electronic and optical properties suggest them as promising candidates for future applications in UV-light shielding and antireflection layers in solar cells.

X-ray emitting hot plasma in solar active regions observed by the SphinX spectrometer

NASA Astrophysics Data System (ADS)

Miceli, M.; Reale, F.; Gburek, S.; Terzo, S.; Barbera, M.; Collura, A.; Sylwester, J.; Kowalinski, M.; Podgorski, P.; Gryciuk, M.

2012-08-01

Aims: The detection of very hot plasma in the quiescent corona is important for diagnosing heating mechanisms. The presence and the amount of such hot plasma is currently debated. The SphinX instrument on-board the CORONAS-PHOTON mission is sensitive to X-ray emission of energies well above 1 keV and provides the opportunity to detect the hot plasma component. Methods: We analysed the X-ray spectra of the solar corona collected by the SphinX spectrometer in May 2009 (when two active regions were present). We modelled the spectrum extracted from the whole Sun over a time window of 17 days in the 1.34-7 keV energy band by adopting the latest release of the APED database. Results: The SphinX broadband spectrum cannot be modelled by a single isothermal component of optically thin plasma and two components are necessary. In particular, the high statistical significance of the count rates and the accurate calibration of the spectrometer allowed us to detect a very hot component at ~7 million K with an emission measure of ~2.7 × 1044 cm-3. The X-ray emission from the hot plasma dominates the solar X-ray spectrum above 4 keV. We checked that this hot component is invariably present in both the high and low emission regimes, i.e. even excluding resolvable microflares. We also present and discuss the possibility of a non-thermal origin (which would be compatible with a weak contribution from thick-target bremsstrahlung) for this hard emission component. Conclusions: Our results support the nanoflare scenario and might confirm that a minor flaring activity is ever-present in the quiescent corona, as also inferred for the coronae of other stars.

Anomalous diffusion associated with nonlinear fractional derivative fokker-planck-like equation: exact time-dependent solutions

PubMed

Bologna; Tsallis; Grigolini

2000-08-01

We consider the d=1 nonlinear Fokker-Planck-like equation with fractional derivatives ( partial differential/ partial differentialt)P(x,t)=D( partial differential(gamma)/ partial differentialx(gamma))[P(x,t)](nu). Exact time-dependent solutions are found for nu=(2-gamma)/(1+gamma)(-infinity

Carbothermic Synthesis of ~820- m UN Kernels. Investigation of Process Variables

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

Lindemer, Terrence; Silva, Chinthaka M; Henry, Jr, John James

2015-06-01

This report details the continued investigation of process variables involved in converting sol-gel-derived, urainia-carbon microspheres to ~820-μm-dia. UN fuel kernels in flow-through, vertical refractory-metal crucibles at temperatures up to 2123 K. Experiments included calcining of air-dried UO 3-H 2O-C microspheres in Ar and H 2-containing gases, conversion of the resulting UO 2-C kernels to dense UO 2:2UC in the same gases and vacuum, and its conversion in N 2 to in UC 1-xN x. The thermodynamics of the relevant reactions were applied extensively to interpret and control the process variables. Producing the precursor UO 2:2UC kernel of ~96% theoretical densitymore » was required, but its subsequent conversion to UC 1-xN x at 2123 K was not accompanied by sintering and resulted in ~83-86% of theoretical density. Decreasing the UC 1-xN x kernel carbide component via HCN evolution was shown to be quantitatively consistent with present and past experiments and the only useful application of H2 in the entire process.« less

Observation of Psi(3770)-->gammachi(c1)-->gammagammaJ/Psi.

PubMed

Coan, T E; Gao, Y S; Liu, F; Artuso, M; Boulahouache, C; Blusk, S; Butt, J; Dorjkhaidav, O; Li, J; Menaa, N; Mountain, R; Nandakumar, R; Randrianarivony, K; Redjimi, R; Sia, R; Skwarnicki, T; Stone, S; Wang, J C; Zhang, K; Csorna, S E; Bonvicini, G; Cinabro, D; Dubrovin, M; Lincoln, A; Briere, R A; Chen, G P; Chen, J; Ferguson, T; Tatishvili, G; Vogel, H; Watkins, M E; Rosner, J L; Adam, N E; Alexander, J P; Berkelman, K; Cassel, D G; Crede, V; Duboscq, J E; Ecklund, K M; Ehrlich, R; Fields, L; Galik, R S; Gibbons, L; Gittelman, B; Gray, R; Gray, S W; Hartill, D L; Heltsley, B K; Hertz, D; Jones, C D; Kandaswamy, J; Kreinick, D L; Kuznetsov, V E; Mahlke-Krüger, H; Meyer, T O; Onyisi, P U E; Patterson, J R; Peterson, D; Phillips, E A; Pivarski, J; Riley, D; Ryd, A; Sadoff, A J; Schwarthoff, H; Shi, X; Shepherd, M R; Stroiney, S; Sun, W M; Urner, D; Wilksen, T; Weaver, K M; Weinberger, M; Athar, S B; Avery, P; Breva-Newell, L; Patel, R; Potlia, V; Stoeck, H; Yelton, J; Rubin, P; Cawlfield, C; Eisenstein, B I; Gollin, G D; Karliner, I; Kim, D; Lowrey, N; Naik, P; Sedlack, C; Selen, M; White, E J; Williams, J; Wiss, J; Asner, D M; Edwards, K W; Besson, D; Pedlar, T K; Cronin-Hennessy, D; Gao, K Y; Gong, D T; Hietala, J; Kubota, Y; Klein, T; Lang, B W; Li, S Z; Poling, R; Scott, A W; Smith, A; Dobbs, S; Metreveli, Z; Seth, K K; Tomaradze, A; Zweber, P; Ernst, J; Severini, H; Dytman, S A; Love, W; Mehrabyan, S; Mueller, J A; Savinov, V; Li, Z; Lopez, A; Mendez, H; Ramirez, J; Huang, G S; Miller, D H; Pavlunin, V; Sanghi, B; Shipsey, I P J; Adams, G S; Anderson, M; Cummings, J P; Danko, I; Napolitano, J; He, Q; Muramatsu, H; Park, C S; Thorndike, E H

2006-05-12

From e(+)e(-) collision data acquired with the CLEO detector at the Cornell Electron Storage Ring, we observe the non-DD(_) decay Psi(3770))-->gammachi(c1) with a statistical significance of 6.6 standard deviations, using the two-photon cascades to J/Psi and J/Psi-->l(+)l(-). We determine sigma(e(=)e(-)-->Psi(3770))xBeta(Psi(3770)-->gammachi(c1))=(18.0 +/- 3.3 +/- 2.5) pb and branching fraction Beta(Psi(3770)-->gammachi(c1)=(2.8 +/- 0.5+/-0.4) x 10(-3). We set 90% C.L. upper limits for the transition to chi(c2) (chi(c0)): sigma x Beta<5.7 pb (<282 pb) and Beta<0.9 x 10(-3) (<44 x 10(-3)). We also determine Gamma(Psi(3770)gammachi(c1))/Gamma(Psi(3770)-->pi(+)pi(-)J/Psi)=1.5 +/- 0.3 +/- 0.3 (>1.0 at 90% C.L.), which bears upon the interpretation of X(3872).

A Thermal Infrared Cloud Mapper

NASA Astrophysics Data System (ADS)

Mallama, A.; Degnan, J. J.

2001-12-01

A thermal infrared imager for mapping the changing cloud cover over a ground based observing site has been developed. There are two main components to our instrument. One is a commercially made uncooled 10 micron thermal infrared detector that outputs a 120x120 pixel thermogram. The other is a convex electroplated reflector, which is situated beneath the detector and in its field of view. The resulting image covers the sky from zenith down to about 10 degrees elevation. The self-reflection of the camera and supporting vanes is removed by interpolation. Atmospheric transparency is distinguished by the difference between the sky temperature and the ambient air temperature. Clear sky is indicated by pixels having a difference of about 20 degrees C or more. The qualitative results 'clear, haze and cloud' have proven to be very reliable during two years of development and testing. Quantitative information, such as the extinction coefficient, is also available though it is not exact. The uncertainty is probably due to variability of the lapse rate under different atmospheric conditions. Software has been written for PC/DOS and VME/LynxOS (similar to Linux) systems in the C programming language. Functionality includes serial communication with the detector, analysis of the thermogram, mapping of cloud cover, data display, and file I/O. The main elements of cost in this system were for the thermal infrared detector and for the machining of an 18-inch diameter stainless steel mandrel. The latter is needed to produce an electroplated reflector. We have had good success with the gold and rhodium reflectors that have been generated. The reflectors themselves are relatively inexpensive now that the mandrel is available.

Fabrication of flower-like direct Z-scheme β-Bi2O3/g-C3N4 photocatalyst with enhanced visible light photoactivity for Rhodamine B degradation

NASA Astrophysics Data System (ADS)

Zhang, Liping; Wang, Guohong; Xiong, Zhenzhong; Tang, Hua; Jiang, Chuanjia

2018-04-01

A combined hydrothermal-calcination approach is developed to synthesize hierarchical β-Bi2O3/g-C3N4 direct Z-scheme photocatalyst with enhanced visible light photoactivity for Rhodamine B (RhB) degradation. First, Bi2O2CO3 microflowers were hydrothermally prepared using Bi(NO3)3·5H2O as feedstocks, and then a series of β-Bi2O3/g-C3N4 direct Z-scheme photocatalysts were synthesized via a facile calcination method using Bi2O2CO3 and g-C3N4 as precursors. The samples were systematically characterized by various characterization technologies including X-ray diffraction, scanning and transmission electron microscopes, Fourier transform infrared spectroscopy and N2 absorption-desorption equipment. It was found that the g-C3N4 content in the precursors played a key role in affecting the photocatalytic activity of the final products. The β-Bi2O3/g-C3N4 heterojunction exhibited higher photocatalytic activity than single active components (β-Bi2O3 and g-C3N4), indicating the presence of a synergistic effect between two active components in β-Bi2O3/g-C3N4 heterojunction. Among all as-prepared catalysts, the 70 wt.% g-C3N4/Bi2O2CO3 exhibits the highest activity for RhB degradation, and the apparent reaction rate constant k (42.2 × 10-3 min-1) is 3.1 and 1.7 times as high as that of pure β-Bi2O3 (13.5 × 10-3 min-1) and g-C3N4 (25.2 × 10-3 min-1), respectively. The enhanced photocatalytic performance of β-Bi2O3/g-C3N4 heterostructure photocatalysts is mainly due to the high surface area, closely contacted interfaces between the β-Bi2O3 and g-C3N4 component, and the formation of direct Z-scheme structure in the β-Bi2O3/g-C3N4 composites.

Fast and simple character classes and bounded gaps pattern matching, with applications to protein searching.

PubMed

Navarro, Gonzalo; Raffinot, Mathieu

2003-01-01

The problem of fast exact and approximate searching for a pattern that contains classes of characters and bounded size gaps (CBG) in a text has a wide range of applications, among which a very important one is protein pattern matching (for instance, one PROSITE protein site is associated with the CBG [RK] - x(2,3) - [DE] - x(2,3) - Y, where the brackets match any of the letters inside, and x(2,3) a gap of length between 2 and 3). Currently, the only way to search for a CBG in a text is to convert it into a full regular expression (RE). However, a RE is more sophisticated than a CBG, and searching for it with a RE pattern matching algorithm complicates the search and makes it slow. This is the reason why we design in this article two new practical CBG matching algorithms that are much simpler and faster than all the RE search techniques. The first one looks exactly once at each text character. The second one does not need to consider all the text characters, and hence it is usually faster than the first one, but in bad cases may have to read the same text character more than once. We then propose a criterion based on the form of the CBG to choose a priori the fastest between both. We also show how to search permitting a few mistakes in the occurrences. We performed many practical experiments using the PROSITE database, and all of them show that our algorithms are the fastest in virtually all cases.

The BL LAC phenomenon: X-ray observations of transition objects and determination of the x-ray spectrum of a complete sample of flat-spectrum radio sources

NASA Technical Reports Server (NTRS)

Worrall, Diana M.

1994-01-01

This report summarizes the activities related to two ROSAT investigations: (1) x-ray properties of radio galaxies thought to contain BL Lac type nuclei; and (2) x-ray spectra of a complete sample of flat-spectrum radio sources. The following papers describing the research are provided as attachments: Multiple X-ray Emission Components in Low Power Radio Galaxies; New X-ray Results on Radio Galaxies; Analysis Techniques for a Multiwavelength Study of Radio Galaxies; Separation of X-ray Emission Components in Radio Galaxies; X-ray Emission in Powerful Radio Galaxies and Quasars; Extended and Compact X-ray Emission in Powerful Radio Galaxies; and X-ray Spectra of a Complete Sample of Extragalactic Core-dominated Radio Sources.

Calculations of electric dipole moments and static dipole polarizabilities based on the two-component normalized elimination of the small component method.

PubMed

Yoshizawa, Terutaka; Zou, Wenli; Cremer, Dieter

2016-11-14

The analytical energy gradient and Hessian of the two-component Normalized Elimination of the Small Component (2c-NESC) method with regard to the components of the electric field are derived and used to calculate spin-orbit coupling (SOC) corrected dipole moments and dipole polarizabilities of molecules, which contain elements with high atomic number. Calculated 2c-NESC dipole moments and isotropic polarizabilities agree well with the corresponding four-component-Dirac Hartree-Fock or density functional theory values. SOC corrections for the electrical properties are in general small, but become relevant for the accurate prediction of these properties when the molecules in question contain sixth and/or seventh period elements (e.g., the SO effect for At 2 is about 10% of the 2c-NESC polarizability). The 2c-NESC changes in the electric molecular properties are rationalized in terms of spin-orbit splitting and SOC-induced mixing of frontier orbitals with the same j = l + s quantum numbers.

Calculations of electric dipole moments and static dipole polarizabilities based on the two-component normalized elimination of the small component method

NASA Astrophysics Data System (ADS)

Yoshizawa, Terutaka; Zou, Wenli; Cremer, Dieter

2016-11-01

The analytical energy gradient and Hessian of the two-component Normalized Elimination of the Small Component (2c-NESC) method with regard to the components of the electric field are derived and used to calculate spin-orbit coupling (SOC) corrected dipole moments and dipole polarizabilities of molecules, which contain elements with high atomic number. Calculated 2c-NESC dipole moments and isotropic polarizabilities agree well with the corresponding four-component-Dirac Hartree-Fock or density functional theory values. SOC corrections for the electrical properties are in general small, but become relevant for the accurate prediction of these properties when the molecules in question contain sixth and/or seventh period elements (e.g., the SO effect for At2 is about 10% of the 2c-NESC polarizability). The 2c-NESC changes in the electric molecular properties are rationalized in terms of spin-orbit splitting and SOC-induced mixing of frontier orbitals with the same j = l + s quantum numbers.

Evaluating metal-organic frameworks for post-combustion carbon dioxide capture via temperature swing adsorption

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

Mason, JA; Sumida, K; Herm, ZR

Two representative metal-organic frameworks, Zn4O(BTB)(2)(BTB3- = 1,3,5-benzenetribenzoate; MOF-177) and Mg-2(dobdc) (dobdc(4-) = 1,4-dioxido-2,5-benzenedicarboxylate; Mg-MOF-74, CPO-27-Mg), are evaluated in detail for their potential use in post-combustion CO2 capture via temperature swing adsorption (TSA). Low-pressure single-component CO2 and N-2 adsorption isotherms were measured every 10 degrees C from 20 to 200 degrees C, allowing the performance of each material to be analyzed precisely. In order to gain a more complete understanding of the separation phenomena and the thermodynamics of CO2 adsorption, the isotherms were analyzed using a variety of methods. With regard to the isosteric heat of CO2 adsorption, Mg-2(dobdc) exhibits anmore » abrupt drop at loadings approaching the saturation of the Mg2+ sites, which has significant implications for regeneration in different industrial applications. The CO2/N-2 selectivities were calculated using ideal adsorbed solution theory (IAST) for MOF-177, Mg-2(dobdc), and zeolite NaX, and working capacities were estimated using a simplified TSA model. Significantly, MOF-177 fails to exhibit a positive working capacity even at regeneration temperatures as high as 200 degrees C, while Mg-2(dobdc) reaches a working capacity of 17.6 wt% at this temperature. Breakthrough simulations were also performed for the three materials, demonstrating the superior performance of Mg-2(dobdc) over MOF-177 and zeolite NaX. These results show that the presence of strong CO2 adsorption sites is essential for a metal-organic framework to be of utility in post-combustion CO2 capture via a TSA process, and present a methodology for the evaluation of new metal-organic frameworks via analysis of single-component gas adsorption isotherms.« less