Documentation of the GLAS fourth order general circulation model. Volume 2: Scalar code

Volume 2, of a 3 volume technical memoranda contains a detailed documentation of the GLAS fourth order general circulation model. Volume 2 contains the CYBER 205 scalar and vector codes of the model, list of variables, and cross references. A variable name dictionary for the scalar code, and code listings are outlined

Documentation of the GLAS fourth order general calculation model. Volume 3: Vectorized code for the Cyber 205

Volume 3 of a 3-volume technical memoranda which contains documentation of the GLAS fourth order genera circulation model is presented. The volume contains the CYBER 205 scalar and vector codes of the model, list of variables, and cross references. A dictionary of FORTRAN variables used in the Scalar Version, and listings of the FORTRAN Code compiled with the C-option, are included. Cross reference maps of local variables are included for each subroutine

Spin Gap of S=1/2 Heisenberg Model on Distorted Diamond Chain

We study the spin gap of the S=1/2 Heisenberg model on the distorted diamond chain, which is recently proposed to represent magnetic properties of Cu_3 Cl_6 (H_2 O)_2 2H_8 C_4 SO_2. This model is composed of stacked trimers and has three kinds of exchange interactions J_1, J_2 and J_3. Using the numerical diagonalization, we obtain a contour map of the spin gap in the J_2/J_1-J_3/J_1 plane. We argue possible values of the exchange constants based on the contour map and the observed value of the spin gap.Comment: 2 pages, 4 figure

Metabolic modeling and analysis of the metabolic switch in Streptomyces coelicolor

Background The transition from exponential to stationary phase in Streptomyces coelicolor is accompanied by a major metabolic switch and results in a strong activation of secondary metabolism. Here we have explored the underlying reorganization of the metabolome by combining computational predictions based on constraint-based modeling and detailed transcriptomics time course observations. Results We reconstructed the stoichiometric matrix of S. coelicolor, including the major antibiotic biosynthesis pathways, and performed flux balance analysis to predict flux changes that occur when the cell switches from biomass to antibiotic production. We defined the model input based on observed fermenter culture data and used a dynamically varying objective function to represent the metabolic switch. The predicted fluxes of many genes show highly significant correlation to the time series of the corresponding gene expression data. Individual mispredictions identify novel links between antibiotic production and primary metabolism. Conclusion Our results show the usefulness of constraint-based modeling for providing a detailed interpretation of time course gene expression data

Magnetotransport and the upper critical magnetic field in MgB2

Magnetotransport measurements are presented on polycrystalline MgB2 samples. The resistive upper critical magnetic field reveals a temperature dependence with a positive curvature from Tc = 39.3 K down to about 20 K, then changes to a slightly negative curvature reaching 25 T at 1.5 K. The 25- Tesla upper critical field is much higher than what is known so far on polycrystals of MgB2 but it is in agreement with recent data obtained on epitaxial MgB2 films. The deviation of Bc2(T) from standard BCS might be due to the proposed two-gap superconductivity in this compound. The observed quadratic normal-state magnetoresistance with validity of Kohler's rule can be ascribed to classical trajectory effects in the low-field limit.Comment: 6 pages, incl. 3 figure

Effect of Dy substitution in the giant magnetocaloric properties of HoB2_{2}

Recently, a massive magnetocaloric effect near the liquefaction temperature of hydrogen has been reported in the ferromagnetic material HoB$_{2}$. Here we investigate the effects of Dy substitution in the magnetocaloric properties of Ho$_{1-x}$Dy$_{x}$B$_{2}$ alloys ($\textit{x}$ = 0, 0.3, 0.5, 0.7, 1.0). We find that the Curie temperature ($\textit{T}$$_{C}$) gradually increases upon Dy substitution, while the magnitude of the magnetic entropy change |$\Delta \textit{S}_{M}$| at $\textit{T}$ = $\textit{T}_{C}$ decreases from 0.35 to 0.15 J cm$^{-3}$ K$^{-1}$ for a field change of 5 T. Due to the presence of two magnetic transitions in these alloys, despite the change in the peak magnitude of |$\Delta \textit{S}_{M}$|, the refrigerant capacity ($\textit{RC}$) and refrigerant cooling power ($\textit{RCP}$) remains almost constant in all doping range, which as large as 5.5 J cm$^{-3}$ and 7.0 J cm$^{-3}$ for a field change of 5 T. These results imply that this series of alloys could be an exciting candidate for magnetic refrigeration in the temperature range between 10-50 K.Comment: 19 pages, 5 figures, 2 table

Residue network in protein native structure belongs to the universality class of three dimensional critical percolation cluster

A single protein molecule is regarded as a contact network of amino-acid residues. Some studies have indicated that this network is a small world network (SWN), while other results have implied that this is a fractal network (FN). However, SWN and FN are essentially different in the dependence of the shortest path length on the number of nodes. In this paper, we investigate this dependence in the residue contact networks of proteins in native structures, and show that the networks are not SWN but FN. FN is generally characterized by several dimensions. Among them, we focus on three dimensions; the network topological dimension $D_c$, the fractal dimension $D_f$, and the spectral dimension $D_s$. We find that proteins universally yield $D_c \approx 1.9$, $D_f \approx 2.5$ and $Ds \approx 1.3$. These values are in surprisingly good coincidence with those in three dimensional critical percolation cluster. Hence the residue contact networks in the protein native structures belong to the universality class of three dimensional percolation cluster. The criticality is relevant to the ambivalent nature of the protein native structures, i.e., the coexistence of stability and instability, both of which are necessary for a protein to function as a molecular machine or an allosteric enzyme.Comment: 4 pages, 3 figure

Spin Gaps in Coupled t-J Ladders

Spin gaps in coupled $t$-$J$ ladders are investigated by exact diagonalization of small clusters up to 4$\times$8 sites. At half-filling, the numerical results for the triplet excitation spectrum are in very good agreement with a second order perturbation expansion in term of small inter-ladder and intra-ladder exchange couplings between rungs ($J/J^\prime$$<$$0.25$). The band of local triplet excitations moving coherently along the ladder (with momenta close to $\pi$) is split by the inter-ladder coupling. For intermediate couplings finite size scaling is used to estimate the spin gap. In the isotropic infinite 4-chain system (two coupled ladders) we find a spin gap of $0.245 J$, roughly half of the single ladder spin gap. When the system is hole doped, bonding and anti-bonding bound pairs of holes can propagate coherently along the chains and the spin gap remains finite.Comment: 11 pages, 5 figures, uuencoded form of postscript files of figures and text, LPQTH-94/

Disorder-sensitive superconductivity in the iron silicide Lu2_2Fe3_3Si5_5 studied by the Lu-site substitutions

We studied effect of non-magnetic and magnetic impurities on superconductivity in Lu$_2$Fe$_3$Si$_5$ by small amount substitution of the Lu site, which investigated structural, magnetic, and electrical properties of non-magnetic (Lu$_{1-x}$Sc$_x$)$_2$Fe$_3$Si$_5$, (Lu$_{1-x}$Y$_x$)$_2$Fe$_3$Si$_5$, and magnetic (Lu$_{1-x}$Dy$_x$)$_2$Fe$_3$Si$_5$. The rapid depression of $T_c$ by non-magnetic impurities in accordance with the increase of residual resistivity reveals the strong pair breaking dominated by disorder. We provide compelling evidence for the sign reversal of the superconducting order parameter in Lu$_2$Fe$_3$Si$_5$.Comment: 4 pages, 5 figure

Strong Coupling Expansions for Antiferromagnetic Heisenberg S=1/2 Ladders

The properties of antiferromagnetic Heisenberg $S=\frac{1}{2}$ ladders with 2, 3, and 4 chains are expanded in the ratio of the intra- and interchain coupling constants. A simple mapping procedure is introduced to relate the 4 and 2-chain ladders which holds down to moderate values of the expansion parameters. A second order calculation of the spin gap to the lowest triplet excitation in the 2- and 4-chain ladders is found to be quite accurate even at the isotropic point where the couplings are equal. Similar expansions and mapping procedures are presented for the 3-chain ladders which are in the same universality class as single chains.Comment: 10 physical pages, uuencoded compressed PostScript file including 12 figures, ETH-TH/942