What is the Entanglement Length in a Polymer Melt ?

We present results of molecular dynamics simulations of very long model polymer chains analyzed by various experimentally relevant techniques. The segment motion of the chains is found to be in very good agreement with the repatation model. We also calculated the plateau-modulus G_N. The predicitions of the entanglement length N_e from G_N and from the mean square displacements of the chains segments disagree by a factor of about 2.2(2), indicating an error in the prefactor in the standard formula for G_N. We show that recent neutron spin echo measurements were carried out for chain lengths which are too small for a correct determination of N_e.Comment: 5 pages, 4 figures, RevTe

Jamming under tension in polymer crazes

Molecular dynamics simulations are used to study a unique expanded jammed state. Tension transforms many glassy polymers from a dense glass to a network of fibrils and voids called a craze. Entanglements between polymers and interchain friction jam the system after a fixed increase in volume. As in dense jammed systems, the distribution of forces is exponential, but they are tensile rather than compressive. The broad distribution of forces has important implications for fibril breakdown and the ultimate strength of crazes.Comment: 4 pages, 4 figure

Synthesis of intermetallic hydrogen storage materials based on TI-CR by glow discharge plasma

The TiCr2 intermetallic compound with the C36 hexagonal Laves phase has been synthesized by glow discharge plasma. The hydrogen absorption-desorption properties of the obtained alloy were investigated. It is shown that hydrogen storage capacity of material was 0.43 wt % at 85 °C and 8 atm

GREAT: the SOFIA high-frequency heterodyne instrument

We describe the design and construction of GREAT, the German REceiver for Astronomy at Terahertz frequencies operated on the Stratospheric Observatory for Infrared Astronomy (SOFIA). GREAT is a modular dual-color heterodyne instrument for highresolution far-infrared (FIR) spectroscopy. Selected for SOFIA's Early Science demonstration, the instrument has successfully performed three Short and more than a dozen Basic Science flights since first light was recorded on its April 1, 2011 commissioning flight. We report on the in-flight performance and operation of the receiver that - in various flight configurations, with three different detector channels - observed in several science-defined frequency windows between 1.25 and 2.5 THz. The receiver optics was verified to be diffraction-limited as designed, with nominal efficiencies; receiver sensitivities are state-of-the-art, with excellent system stability. The modular design allows for the continuous integration of latest technologies; we briefly discuss additional channels under development and ongoing improvements for Cycle 1 observations. GREAT is a principal investigator instrument, developed by a consortium of four German research institutes, available to the SOFIA users on a collaborative basis

Yield conditions for deformation of amorphous polymer glasses

Shear yielding of glassy polymers is usually described in terms of the pressure-dependent Tresca or von Mises yield criteria. We test these criteria against molecular dynamics simulations of deformation in amorphous polymer glasses under triaxial loading conditions that are difficult to realize in experiments. Difficulties and ambiguities in extending several standard definitions of the yield point to triaxial loads are described. Two definitions, the maximum and offset octahedral stresses, are then used to evaluate the yield stress for a wide range of model parameters. In all cases, the onset of shear is consistent with the pressure-modified von Mises criterion, and the pressure coefficient is nearly independent of many parameters. Under triaxial tensile loading, the mode of failure changes to cavitation.Comment: 9 pages, 8 figures, revte

Self-similar chain conformations in polymer gels

We use molecular dynamics simulations to study the swelling of randomly end-cross-linked polymer networks in good solvent conditions. We find that the equilibrium degree of swelling saturates at Q_eq = N_e**(3/5) for mean strand lengths N_s exceeding the melt entanglement length N_e. The internal structure of the network strands in the swollen state is characterized by a new exponent nu=0.72. Our findings are in contradiction to de Gennes' c*-theorem, which predicts Q_eq proportional N_s**(4/5) and nu=0.588. We present a simple Flory argument for a self-similar structure of mutually interpenetrating network strands, which yields nu=7/10 and otherwise recovers the classical Flory-Rehner theory. In particular, Q_eq = N_e**(3/5), if N_e is used as effective strand length.Comment: 4 pages, RevTex, 3 Figure

Growth, microstructure, and failure of crazes in glassy polymers

We report on an extensive study of craze formation in glassy polymers. Molecular dynamics simulations of a coarse-grained bead-spring model were employed to investigate the molecular level processes during craze nucleation, widening, and breakdown for a wide range of temperature, polymer chain length $N$, entanglement length $N_e$ and strength of adhesive interactions between polymer chains. Craze widening proceeds via a fibril-drawing process at constant drawing stress. The extension ratio is determined by the entanglement length, and the characteristic length of stretched chain segments in the polymer craze is $N_e/3$. In the craze, tension is mostly carried by the covalent backbone bonds, and the force distribution develops an exponential tail at large tensile forces. The failure mode of crazes changes from disentanglement to scission for $N/N_e\sim 10$, and breakdown through scission is governed by large stress fluctuations. The simulations also reveal inconsistencies with previous theoretical models of craze widening that were based on continuum level hydrodynamics