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71.
N.-K. Lee T.A. Vilgis 《The European Physical Journal B - Condensed Matter and Complex Systems》2002,28(4):451-465
We study the elastic properties of single A/B random copolymer chains, with a specific sequence and use them as theoretical
model for so called HP proteins. HP proteins carry hydrophilic (P) and hydrophobic (H) monomers. We predict a rich structure
in the force-extension relations which can be attributed to the information in the sequence. The variational method is used
to probe local minima on the path of stretching and releasing for the chain molecules. At a given force, we find multiple
configurations which are separated by energy barriers. A collapsed globular configuration consists of several domains which
unravel cooperatively. Upon stretching, the unfolding path shows a stepwise pattern corresponding to the unfolding of each
domain. While releasing, several cores can be created simultaneously in the middle of the chain, resulting in a different
path of collapse. The long-range interactions and stiffness of the chain simplify the potential landscape given by the disorder
in sequence.
Received 5 March 2002 / Received in final form 16 May 2002 Published online 13 August 2002 相似文献
72.
The Constraint Molecular Dynamics approach is illustrated together with calculation on different heavy ion collisions. In particular the charge-mass distribution produced in the collision 124Sn + 64Ni and 112Sn + 58Ni at 35 MeV/nucleon is discussed. By comparing the Y = (N ? Z)/A distributions for fragments produced in central collisions it results that this observable can be sensitive to the dynamic effects induced on the two systems by the different charge/mass ratio. 相似文献
73.
The effect of gradients in hardness, structure and composition in the surface layers on magnetic Barkhausen noise (MBN) was investigated in two widely used low alloy steels. One material was case hardened by induction hardening. The other was case carburised. Similar hardness profiles were produced by the two treatments. It was found that the variation in structure and hardness through the case in the induction-hardened steel had a minor effect on the MBN profile. In contrast, the inhomogeneity in the case-carburised material showed up clearly. This took the form of a broadened or two-peak MBN profile. When the surface layer containing the case was removed by etching, the broadened profile was replaced by a profile with a single peak. It is concluded that the shape and position of the MBN profile is significantly affected when a gradient in microstructure is induced by a gradient in carbon content. On the other hand, a gradient in microstructure induced by heat treatment with a constant carbon level has much less affect on the MBN profile for the induction-hardened steel. 相似文献
74.
John T. Herron 《国际化学动力学杂志》1987,19(2):129-142
The gas phase chemical kinetics of SF4, SF5, and S2F10 are reviewed with particular emphasis on relevance to the general problem of the dielectric breakdown of SF6. Specific reaction systems treated are SF4 + F2, SF5 + SF5, and the pyrolysis of S2F10. Computer modeling calculations were carried out to arrive at the best estimates of rate parameters. Based on the results of these calculations, sets of recommended rate parameters are provided. The major discrepancies and problems in establishing the kinetic data base are described. Thermochemical consequences of different model calculations are given. 相似文献
75.
V. A. Zayats A. N. Nikolaevskii T. A. Filippenko O. P. Kniga G. A. Tikhonova 《Russian Journal of Applied Chemistry》2006,79(10):1651-1654
Specific features of the initiated oxidation of polyethylene and its low-molecular-weight analogue tridecane, associated with the occurrence of the process in the short-chain mode, were studied. 相似文献
76.
von Eynatten G. Ritter T. Bömmel H. E. Dransfeld K. 《Zeitschrift für Physik B Condensed Matter》1987,65(3):341-345
A new model is presented which explains well the dramatic decrease of the Mössbauer line intensities with raising temperatures for freely dispersed iron microscrystals. In contrast to other theories which consider mainly vibration to be responsible we discuss here the decrease in terms of large amplitude diffusive rotational or translational jumps of the particles. Such diffusive jumps lead — in agreement with the observation — to a strong reduction of the Mössbauer-intensity without broadening the line width in a noticeable way. The typical potential well for a diffusing particle in an equilibrium position is derived quantitatively to be 13 meV. The model might be important also for a new understanding of the dynamics of catalytic clusters either in contact with each other or with larger solid surfaces.Part of this work was supported by the DFG Sonderforschungsbereich 306, Konstanz 相似文献
77.
G. S. Patrin V. V. Beletskiĭ D. A. Velikanov O. A. Bayukov V. V. Vershinin O. V. Zakieva T. N. Isaeva 《Physics of the Solid State》2006,48(4):700-704
The results of experimental and theoretical studies of the low-temperature properties of FeSi crystals are presented. The specific features of the magnetic susceptibility are shown to be related to the superparamagnetic behavior of impurity clusters. The thermomagnetic hysteresis phenomena observed are explained using the model of exchange-coupled clusters. 相似文献
78.
T. Yu. Gumerov A. F. Dobrynina R. A. Yusupov V. P. Barabanov 《Russian Journal of Applied Chemistry》2006,79(12):1935-1939
The behavior of real disperse systems with organic impurities was examined under conditions of destabilization by inorganic coagulants. A number of physicochemical methods of analysis and a simulation method were used to identify the character and type of the complexes formed and to calculate their stability constants. 相似文献
79.
Hyperfine Interactions - In this paper, the conditions for which three-dimensional crystalline ion beams were attained in the rf quadrupole storage ring PALLAS at a velocity of around 2800 m/s are... 相似文献
80.
Curtis T. McMullen 《Journal of the American Mathematical Society》2003,16(4):857-885
This paper exhibits an infinite collection of algebraic curves isometrically embedded in the moduli space of Riemann surfaces of genus two. These Teichmüller curves lie on Hilbert modular surfaces parameterizing Abelian varieties with real multiplication. Explicit examples, constructed from L-shaped polygons, give billiard tables with optimal dynamical properties.