Finite size effects in the presence of a chemical potential: A study in the classical nonlinear O(2) sigma model

In the presence of a chemical potential, the physics of level crossings leads to singularities at zero temperature, even when the spatial volume is finite. These singularities are smoothed out at a finite temperature but leave behind nontrivial finite size effects which must be understood in order to extract thermodynamic quantities using Monte Carlo methods, particularly close to critical points. We illustrate some of these issues using the classical nonlinear O(2) sigma model with a coupling β and chemical potential μ on a 2+1-dimensional Euclidean lattice. In the conventional formulation this model suffers from a sign problem at nonzero chemical potential and hence cannot be studied with the Wolff cluster algorithm. However, when formulated in terms of the worldline of particles, the sign problem is absent, and the model can be studied efficiently with the "worm algorithm." Using this method we study the finite size effects that arise due to the chemical potential and develop an effective quantum mechanical approach to capture the effects. As a side result we obtain energy levels of up to four particles as a function of the box size and uncover a part of the phase diagram in the (β,μ) plane. © 2010 The American Physical Society.

Adaptor protein-2 sigma subunit mutations causing familial hypocalciuric hypercalcaemia type 3 (FHH3) demonstrate genotype-phenotype correlations, codon bias and dominant-negative effects

The adaptor protein-2 sigma subunit (AP2sigma;2) is pivotal for clathrin-mediated endocytosis of plasma membrane constituents such as the calcium-sensing receptor (CaSR). Mutations of the AP2sigma;2 Arg15 residue result in familial hypocalciuric hypercalcaemia type 3 (FHH3), a disorder of extracellular calcium (Ca<inf>o</inf>²⁺) homeostasis. To elucidate the role of AP2sigma;2 in Ca<inf>o</inf>²⁺ regulation, we investigated 65 FHH probands, without other FHH-associated mutations, for AP2sigma;2 mutations, characterized their functional consequences and investigated the genetic mechanisms leading to FHH3. AP2sigma;2 mutations were identified in 17 probands, comprising 5 Arg15Cys, 4 Arg15His and 8 Arg15Leu mutations. A genotype-phenotype correlation was observed with the Arg15Leu mutation leading to marked hypercalcaemia. FHH3 probands harboured additional phenotypes such as cognitive dysfunction. All three FHH3-causing AP2sigma;2 mutations impaired CaSR signal transduction in a dominant-negative manner. Mutational bias was observed at the AP2sigma;2 Arg15 residue as other predicted missense substitutions (Arg15Gly, Arg15Pro and Arg15Ser), which also caused CaSR loss-of-function, were not detected in FHH probands, and these mutations were found to reduce the numbers of CaSR-expressing cells. FHH3 probands had significantly greater serum calcium (sCa) and magnesium (sMg) concentrations with reduced urinary calcium to creatinine clearance ratios (CCCR) in comparison with FHH1 probands with CaSR mutations, and a calculated index of sCa × sMg/100 × CCCR, which was ≥ 5.0, had a diagnostic sensitivity and specificity of 83 and 86%, respectively, for FHH3. Thus, our studies demonstrate AP2sigma;2 mutations to result in a more severe FHH phenotype with genotype-phenotype correlations, and a dominant-negative mechanism of action with mutational bias at the Arg15 residue.

N=2 sigma models for Ramond-Ramond backgrounds

Using the U(4) hybrid formalism, manifestly N = (2,2) worldsheet supersymmetric sigma models are constructed for the type-IIB superstring in Ramond-Ramond backgrounds. The Kahler potential in these N = 2 sigma models depends on four chiral and antichiral bosonic superfields and two chiral and antichiral fermionic superfields. When the Kahler potential is quadratic, the model is a free conformal field theory which describes a flat ten-dimensional target space with Ramond-Ramond flux and non-constant dilaton. For more general Kahler potentials, the model describes curved target spaces with Ramond-Ramond flux that are not plane-wave backgrounds. Ricci-flatness of the Kahler metric implies the on-shell conditions for the background up to the usual four-loop conformal anomaly.

A theoretical study of the A(2)Sigma(+)-X-2 Pi system of the SiP molecule

The A (2)Sigma(+) and X(2)Pi electronic states of the SiP species have been investigated theoretically at a very high level of correlation treatment (CASSCF/MRSDCI). Very accurate potential energy curves are presented for both states, as well as the associated spectroscopic constants as derived from the vib-rotational energy levels determined by means of the numerical solution of the radial Schrodinger equation. Electronic transition moment function, oscillator strengths, Einstein coefficients for spontaneous emission, and Franck-Condon factors for the A(2)Sigma(+)-X(2)Pi system have been calculated. Dipole moment functions and radiative lifetimes for both states have also been determined. Spin-orbit coupling constants are also reported. The radiative lifetimes for the A(2)Sigma(+) state, taking into account the spin-orbit diagonal correction to the X(2)Pi state, decrease from a value of 138 ms at v' = 0 to 0.48 ms at v' = 8, and, for the X(2)Pi state, from 2.32 s at v = 1 to 0.59 s at v = 5. Vibrational and rotational transitions are expected to be relatively strong.

N = 2 sigma models for Ramond-Ramond backgrounds

Using the U(4) hybrid formalism, manifestly N = (2,2) worldsheet supersymmetric sigma models are constructed for the type-IIB superstring in Ramond-Ramond backgrounds. The Kahler potential in these N = 2 sigma models depends on four chiral and antichiral bosonic superfields and two chiral and antichiral fermionic superfields. When the Kahler potential is quadratic, the model is a free conformal field theory which describes a flat ten-dimensional target space with Ramond-Ramond flux and non-constant dilaton. For more general Kahler potentials, the model describes curved target spaces with Ramond-Ramond flux that are not plane-wave backgrounds. Ricci-flatness of the Kahler metric implies the on-shell conditions for the background up to the usual four-loop conformal anomaly. © SISSA/ISAS 2002.

Axial binding of 2-methylimidazole to the tetraarylcarboxylatodiruthenium (II, III) core: X-ray crystal structure of [Ru-2(O2CC6H4-p-OMe)(4)(2-mimH)(2)](ClO4). 1.75CH(2)Cl(2).H2O

Diruthenium (II. III) complexes of the type [Ru-2(O2CAr)(4) (2-mimH)(2)](ClO4) (Ar = C6H4-p-X : X=OMe,1, X=Me, 2, 2-mimH=2-methylimidazole) have been isolated from the reaction of Ru2Cl(O2CAr)(4) with 2-mimH in CH2Cl2 followed by the addition of NaClO4. The crystal structure of 1.1.75CH(2)Cl(2).H2O has been determined. The crystal belongs to the monoclinic space group p2(1)/c with the following unit cell dimensions for the C40H40N4O16ClRu2.1.75CH(2)Cl(2).H2O (M = 1237.0) : a = 12.347(3)Angstrom, b = 17.615(5)Angstrom, c = 26.148(2)Angstrom,beta = 92.88(1)degrees. v = 5679(2)Angstrom(3). Z=4, D-c = 1.45 g cm(-3). lambda(Mo-K-alpha) = 0.7107 Angstrom, mu(Mo-K-alpha) = 8.1 cm(-1), T = 293 K, R = 0.0815 (wR(2) = 0.2118) for 5834 reflections with 1 > 2 sigma(I). The complex has a tetracarboxylatodiruthenium (II, III) core and two axially bound 2-methylimidazole ligands. The Ru-Ru bond length is 2.290(1)Angstrom. The Ru-Ru bond order is 2.5 and the complex is three-electron paramagnetic. The complex shows an irreversible Ru-2(II,III)-->Ru-2(Il,II) reduction near -0.2 V vs SCE in CH2Cl2-0. 1 MTBAP. The complexes exemplify the first adduct of the tetracarboxylatodiruthenium (II,III) core having N-donor ligands

Studies on the structure of tricyclohexyltin-2-(1,2-dithioethylene)methylene-3-oxo-5-aryl-4-pentenicate

Three title compounds were prepared and the structure of title compound 2 was characterized by IR, H-1 NMR, C-13 NMR, Sn-119 NMR spectroscopy and the crystal structure of compound 2a was determined by X-ray analysis with the final R indices[I >2 sigma (I)] R-1 = 0.0350 and R-2,R-omega = 0.0888. The crystal of compound 2a belongs to triclinic system, space group P1 with a = 1.0598(6) nm, b = 1.307 4(10) nm, c = 1.378 6(10) nm, alpha = 62.666(7)degrees, beta = 72.530(2)degrees, gamma = 80. 680(2)degrees, V = 1.618 0 nm(3), D-x = 1. 444 g (.) cm(-3), Z = 1, F (000) = 728. The bond length of Sn1-O1 is 0. 2076 nm and Sn1 . . . O2 distance is 0.301 3 nm. The coordination about the tin atom can be considered as a distorted tetrahedral. The detail values of H-1 NMR, C-13 NMR, Sn-119 NMR, (2)J(119Sn-1H) and J(119Sn-13C) were obtained. delta (119Sn) = 23.836, (2)J(119Sn-1H) = 88.0 Hz, (1)J(119Sn-13C) = 347.1 Hz, (2)J(119Sn-13C) = 45.6 Hz.

A new dinuclear molybdenum(V)-sulfur complex containing citrate ligand: synthesis and characterization of K2.5Na2NH4[Mo2O2S2(cit)(2)].5H(2)O

The complex, K2.5Na2NH4[Mo2O2S2(cit)(2)]. 5H(2)O (1), was obtained by crystallization from a solution of (NH4)(2)MoS4, potassium citrate (K(3)cit) and hydroxyl sodium in methanol and water under an atmosphere of pure nitrogen at ambient temperature. The crystals are triclinic, space group , a = 7.376 (3)Angstrom, b = 14.620 (2) Angstrom, c = 14.661 (1) Angstrom, alpha = 71.10 (1)degrees, beta = 81.77 (1)degrees, gamma = 78.27(2)degrees, R = 0.0584 for 2545 observed (I > 2 sigma (I)) reflections. Single crystal structure analysis reveals that citrate ligand coordinated to molybdenum atom through two carboxylato oxygens and one deprotonated hydroxyl oxygen together with two bridging sulfur atoms and a terminal oxygen atom completes distorted coordination octahedron around each molybdenum atom. Principal dimensions are: Mo = O-t, 1.707 Angstrom (av); Mo-S-b, 2.341 Angstrom (av); Mo-O-(hydroxyl), 2.021 Angstrom (av); Mo-O(alpha-carboxyl), 2.1290 Angstrom (av) and Mo-O(beta-carboxyl), 2.268(av) Angstrom. IR spectrum is in agreement with the structure.

Mono- and dimethyl-1,2,4-triazolate as ligands for the mercuric ion in the cationic three-dimensional coordination polymer of [Hg-2(Mmt)(Dmt)(2)](NO3)(H2O))

Colourless crystals of [Hg-2(Mmt)(Dmt)(2)](NO3)(H2O) were obtained from a reaction of mercuric nitrate with nionomethyl- and dimethyl-1,2.4-triazolate (Mmt(-) and Dmt(-), respectively). In the crystal structure (monoclinic, C2/c (no. 15), a = 2579.4(4) b = 1231.1(2), c = 1634.8(2) pm, beta = 128.32(1)degrees V = 4073.3(11).10(6).pm(3): Z = 8, R-1 [I-0 > 2 sigma(I-0)]: 0.0355), half of the mercuric ions are essentially two-coordinate (Hg-N: 210-215 pm), the other half are tetrahedrally surrounded by N-donor atoms (Hg-N: 221, 225 pm) of the Mmt(-) and Dmt(-) anions. These three-N ligands construct a three-dimensional framework.

Mercuric bis(N-imino-methyl-formamidate), Hg(Imf)(2)

Single crystals of mercuric bis(N-imino-methyl-formamidate), Hg(Imf)(2), were obtained from aqueous solutions of 1,2,4-triazole and Hg(NO3)(2)center dot 2H(2)O. The crystal structure [monoclinic, P2(1)/c (no. 14), a = 499.6(2), b = 1051.2(4), c = 711.1(3) pm, beta = 117.55(1)degrees, Z = 2, R, for 890 reflections with I-0 > 2 sigma(I-0): 0.0369] contains linear centrosymmetric Hg(Imf)(2) molecules with Hg-N distances of only 203.5(7)pm. Two plus two intra- and intermolecular nitrogen atoms add to an effective coordination number of 6.

Tetrahedra and vertex-sharing double tetrahedra in the ammonium iodomercurates(II) (NH4)(7)[HgI4](2)[Hg2I7](H2O) and (NH4)(3)[Hg2I7]

The new ammonium iodomercurates(II), (NH4)(7)[HgI4](2)[Hg2I7](H2O) (1) and (NH4)(3)[Hg2I7] (2) contain isolated tetrahedra and vertex-sharing double tetrahedra as the anions. The crystal structures were determined from single-crystal X-ray diffraction data: 1: orthorhombic, Pnma (no. 62), a = 2175.9(2), b = 1781.8(2), c = 1256.2(2) pm, Z = 4. R-1 [I-0 > 2 sigma(I-0)] = 0.0520; 2: monoclinic, P2(1)/c (no. 14), a = 1259.0(2), b = 773.2(1), c = 2172.4(3) pm, beta = 101.18(2)degrees, Z = 4, R, [I-0 > 2 sigma(I-0)] = 0.0308.

Polyphase Implementation of Non-recursive Comb Decimators for Sigma-Delta A/D Converters

In a sigma-delta analog to digital (A/D) As most of the sigma-delta ADC applications require converter, the most computationally intensive block is decimation filters with linear phase characteristics, the decimation filter and its hardware implementation symmetric Finite Impulse Response (FIR) filters are may require millions of transistors. Since these widely used for implementation. But the number of FIR converters are now targeted for a portable application, filter coefficients will be quite large for implementing a a hardware efficient design is an implicit requirement. narrow band decimation filter. Implementing decimation In this effect, this paper presents a computationally filter in several stages reduces the total number of filter efficient polyphase implementation of non-recursive coefficients, and hence reduces the hardware complexity cascaded integrator comb (CIC) decimators for and power consumption [2]. Sigma-Delta Converters (SDCs). The SDCs are The first stage of decimation filter can be operating at high oversampling frequencies and hence implemented very efficiently using a cascade of integrators require large sampling rate conversions. The filtering and comb filters which do not require multiplication or and rate reduction are performed in several stages to coefficient storage. The remaining filtering is performed reduce hardware complexity and power dissipation. either in single stage or in two stages with more complex The CIC filters are widely adopted as the first stage of FIR or infinite impulse response (IIR) filters according to decimation due to its multiplier free structure. In this the requirements. The amount of passband aliasing or research, the performance of polyphase structure is imaging error can be brought within prescribed bounds by compared with the CICs using recursive and increasing the number of stages in the CIC filter. The non-recursive algorithms in terms of power, speed and width of the passband and the frequency characteristics area. This polyphase implementation offers high speed outside the passband are severely limited. So, CIC filters operation and low power consumption. The polyphase are used to make the transition between high and low implementation of 4th order CIC filter with a sampling rates. Conventional filters operating at low decimation factor of '64' and input word length of sampling rate are used to attain the required transition '4-bits' offers about 70% and 37% of power saving bandwidth and stopband attenuation. compared to the corresponding recursive and Several papers are available in literature that deals non-recursive implementations respectively. The same with different implementations of decimation filter polyphase CIC filter can operate about 7 times faster architecture for sigma-delta ADCs. Hogenauer has than the recursive and about 3.7 times faster than the described the design procedures for decimation and non-recursive CIC filters.

Calculations of the polycentric linear molecule H^2+_3 with the finite element method

A fully numerical two-dimensional solution of the Schrödinger equation is presented for the linear polyatomic molecule H^2+_3 using the finite element method (FEM). The Coulomb singularities at the nuclei are rectified by using both a condensed element distribution around the singularities and special elements. The accuracy of the results for the 1\sigma and 2\sigma orbitals is of the order of 10^-7 au.

Inclusive J/psi production in pp collisions at root s=2.76 TeV

The ALICE Collaboration has measured inclusive J/psi production in pp collisions at a center-of-mass energy root s = 2.76 TeV at the LHC. The results presented in this Letter refer to the rapidity ranges vertical bar y vertical bar < 0.9 and 2.5 < y <4 and have been obtained by measuring the electron and muon pair decay channels, respectively. The integrated luminosities for the two channels are L-int(e) = 1.1 nb(-1) and L-int(mu) = 19.9 nb(-1), and the corresponding signal statistics are N-J/psi(e+e-) = 59 +/- 14 and N-J/psi(mu+mu-) = 1364 +/- 53. We present d sigma(J/psi)/dy for the two rapidity regions under study and, for the forward-y range, d(2)sigma(J/psi)/dydp(t) in the transverse momentum domain 0 < p(t) < 8 GeV/c. The results are compared with previously published results at root s = 7 TeV and with theoretical calculations. (C) 2012 CERN. Published by Elsevier B.V. All rights reserved.