Finite element calculation of creep crack initiation on an IP-turbine rotor using the C*-parameter

Creep crack initiation results from a heat resistant turbine rotor steel of type 1%Cr-1%Mo-0.6%Ni-0.3%V are described by the parameter C*, which is calculated on the basis of an inelastic finite element analysis. The application of these results for the calculation of creep crack initiation of an assumed internal defect in the center of an IP rotor is discussed. The time to creep crack initiation estimated on the basis of the C*-concept is compared with a predicition by means of the analytical two-criteria- concept.     

Polarization of skylight in the O(2)A band: effects of aerosol properties

Motivated by several observations of the degree of linear polarization of skylight in the oxygen A (O(2)A) band that do not yet have a quantitative explanation, we analyze the influence of aerosol altitude, microphysics, and optical thickness on the degree of linear polarization of the zenith skylight in the spectral region of the O(2)A band, between 755 to 775 nm. It is shown that the degree of linear polarization inside the O(2)A band is particularly sensitive to aerosol altitude. The sensitivity is strongest for aerosols within the troposphere and depends also on their microphysical properties and optical thickness. The polarization of the O(2)A band can be larger than the polarization of the continuum, which typically occurs for strongly polarizing aerosols in an elevated layer, or smaller, which typically occurs for depolarizing aerosols or cirrus clouds in an elevated layer. We show that in the case of a single aerosol layer in the atmosphere a determination of the aerosol layer altitude may be obtained. Furthermore, we show limitations of the aerosol layer altitude determination in case of multiple aerosol layers. To perform these simulations we developed a fast method for multiple scattering radiative transfer calculations in gaseous absorption bands including polarization. The method is a combination of doubling-adding and k-binning methods. We present an error estimation of this method by comparing with accurate line-by-line radiative transfer simulations. For the Motivated by several observations of the degree of linear polarization of skylight in the oxygen A (O(2)A) band that do not yet have a quantitative explanation, we analyze the influence of aerosol altitude, microphysics, and optical thickness on the degree of linear polarization of the zenith skylight in the spectral region of the O(2)A band, between 755 to 775 nm. It is shown that the degree of linear polarization inside the O(2)A band is particularly sensitive to aerosol altitude. The sensitivity is strongest for aerosols within the troposphere and depends also on their microphysical properties and optical thickness. The polarization of the O(2)A band can be larger than the polarization of the continuum, which typically occurs for strongly polarizing aerosols in an elevated layer, or smaller, which typically occurs for depolarizing aerosols or cirrus clouds in an elevated layer. We show that in the case of a single aerosol layer in the atmosphere a determination of the aerosol layer altitude may be obtained. Furthermore, we show limitations of the aerosol layer altitude determination in case of multiple aerosol layers. To perform these simulations we developed a fast method for multiple scattering radiative transfer calculations in gaseous absorption bands including polarization. The method is a combination of doubling-adding and k-binning methods. We present an error estimation of this method by comparing with accurate line-by-line radiative transfer simulations. For the O(2)A band, the errors in the degree of linear polarization are less than 0.11% for transmitted light, and less than 0.31% for reflected light. band, the errors in the degree of linear polarization are less than 0.11% for transmitted light, and less than 0.31% for reflected light.     

Biomolecular Structure Prediction Stochastic Optimization Methods

Biomolecular structure prediction remains an important challenge to biophysical chemistry. We recently developed an all‐atom free energy forcefield (PFF01) for protein structure prediction with stochastic optimization methods. We review recent studies, which demonstrated all‐atom folding of several proteins and summarize recent progress for in‐silico high‐throughput screening strategies for rational drug design, which are also based on the use of stochastic optimization methods to determine the conformation of the receptor‐ligand complex.     

Disorder effects in focused-ion-beam-deposited Pt contacts on GaN nanowires

The current-bias (I-V) characteristics at various temperatures, T, of focused-ion-beam (FIB)-deposited Pt contacts on GaN nanowires evolves from low-resistance ohmic (linear I-V) to rectifying as the diameter increases, and both exhibit strongly nonmetallic T-dependence. The small-diameter (66 nm) T-dependent resistance is explained by two-dimensional variable range hopping with a small characteristic energy, ensuring low resistance at 300 K. For large diameters (184 nm), back-to-back Schottky barriers explain the nonlinear I-V at all T values and permit an estimate of doping concentration from the bias-dependent barrier height. Both behaviors can be understood by accounting for the role of FIB-induced amorphization of GaN underneath the contact, as confirmed by cross-sectional transmission electron microscopy.     

Precision spectroscopy of hydrogen and femtosecond laser frequency combs

Precision spectroscopy of the simple hydrogen atom has inspired dramatic advances in optical frequency metrology: femtosecond laser optical frequency comb synthesizers have revolutionized the precise measurement of optical frequencies, and they provide a reliable clock mechanism for optical atomic clocks. Precision spectroscopy of the hydrogen 1S-2S two-photon resonance has reached an accuracy of 1.4 parts in 10(14), and considerable future improvements are envisioned. Such laboratory experiments are setting new limits for possible slow variations of the fine structure constant alpha and the magnetic moment of the caesium nucleus mu(Cs) in units of the Bohr magneton mu(B).     

A SINGULAR INTEGRAL EQUATION SOLUTION FOR THE LINEAR ELASTIC CRACK OPENING DISPLACEMENT OF AN ARBITRARILY SHAPED PLANE CRACK: PART II REGULAR INTEGRAL SOLUTIONS

Abstract— The boundary value problem for an arbitrarily shaped plane crack embedded in a 3D linear elastic solid can be reduced to a governing hyper-singular integral equation. A discretizing procedure based on a triangulation of the crack area has been offered in Part I of this work. The main goal of Part I is to introduce the analytical results for the 18 resulting finite-part integrals defined over a triangular mesh area. The finite-part integrals occur in those triangles where the source point coincides with one of the element nodes. Mostly the source point lies outside of the considered triangle. In these cases the occurring area integrals are regular.
The aim of Part II is, therefore, the derivation of the closed form expressions for the relevant 18 regular area integrals. The resulting relations are of algebraic form which can easily be coded in compact form. Their numerical proof by two different methods shows the highest accuracy and, therefore, the correctness of the final solutions. The relevant numerical results are offered in Appendix I.
With the formulae provided in Part I and Part II of the paper the determination of the coefficient matrix, necessary for the calculation of COD values from a linear equation system, is precise and needs only minimum computer time.     

Lebensmittelkontaminationen im Emissionsbereich Chemischer Reinigungen

Zusammenfassung Lebensmittel, die im Emissionsbereich Chemischer Reinigungen gelagert bzw. verkauft werden, können erheblich mit Tetrachlorethen belastet sein. Hohe Tetrachlorethengehalte wurden sowohl in Lebensmittelproben aus über Chemischen Reinigungen gelegenen Wohnungen als auch in Proben aus dem Lebensmitteleinzelhandel festgestellt. Lebensmittel mit hohem Fettgehalt wiesen stets die höchsten Kontaminationen auf.

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Contamination of foodstuffs by emissions from dry cleaning units

Summary Tetrachloroethene (perchloroethylene) from dry-cleaning units may contaminate adjacent flats in the same building. Increased concentrations of tetrachloroethene have been found in foodstuffs in homes situated above dry cleaning units and in foodstuffs from groceries located neat drycleaning units. The concentrations were extremely high in foods rich in fat.

     

Necrotizing fasciitis

Necrotizing fasciitis is a rare soft tissue infection with a high rate of mortality. Decreased capacity of the immune response is the overall disposing factor. Necrotizing fasciitis can develop very rapidly, and a rapid diagnosis and aggressive surgery provides the best prognosis.     

Role of DNA in the activation of the Cry1A insecticidal crystal protein from Bacillus thuringiensis

The Cry1A insecticidal crystal protein (protoxin) from six subspecies of Bacillus thuringiensis as well as the Cry1Aa, Cry1Ab, and Cry1Ac proteins cloned in Escherichia coli was found to contain 20-kilobase pair DNA. Only the N-terminal toxic moiety of the protoxin was found to interact with the DNA. Analysis of the crystal gave approximately 3 base pairs of DNA per molecule of protoxin, indicating that only a small region of the N-terminal toxic moiety interacts with the DNA. It is proposed that the DNA-protoxin complex is virus-like in structure with a central DNA core surrounded by protein interacting with the DNA with the peripheral ends of the C-terminal region extending outward. It is shown that this structure accounts for the unusual proteolysis observed in the generation of toxin in which it appears that peptides are removed by obligatory sequential cleavages starting from the C terminus of the protoxin. Activation of the protoxin by spruce budworm (Choristoneura fumiferana) gut juice is shown to proceed through intermediates consisting of protein-DNA complexes. Larval trypsin initially converts the 20-kilobase pair DNA-protoxin complex to a 20-kilobase pair DNA-toxin complex, which is subsequently converted to a 100-base pair DNA-toxin complex by a gut nuclease and ultimately to the DNA-free toxin.     

Structural studies of ribosomal proteins

Crystal and solution structures of fourteen ribosomal proteins from thermophilic bacteria have been determined during the last decade. This paper reviews structural studies of ribosomal proteins from Thermus thermophilus carried out at the Institute of Protein Research (Pushchino, Russia) in collaboration with the University of Lund (Lund, Sweden) and the Center of Structural Biochemistry (Karolinska Institute, Huddinge, Sweden). New experimental data on the crystal structure of the ribosomal protein L30 from T. thermophilus are also included.