Nearly defect-free dynamical models of disordered solids: The case of amorphous silicon

It is widely accepted in the materials modeling community that defect-free realistic networks of amorphous silicon cannot be prepared by quenching from a molten state of silicon using classical or ab initio molecular-dynamics (MD) simulations. In this work, we address this long-standing problem by producing nearly defect-free ultra-large models of amorphous silicon, consisting of up to half-a-million atoms, using classical molecular-dynamics simulations. The structural, topological, electronic, and vibrational properties of the models are presented and compared with experimental data. A comparison of the models with those obtained from using the modified Wooten-Winer-Weaire bond-switching algorithm shows that the models are on par with the latter, which were generated via event-based total-energy relaxations of atomistic networks in the configuration space. The MD models produced in this work represent the highest quality of amorphous-silicon networks so far reported in the literature using molecular-dynamics simulations.Comment: 8 pages, 8 figure

Studying microstructure and phase composition of a new complex calcium containing alloy

In the given article there are presented the results of studying the microstructure and phase structure of a complex alloy of alumosilicon with calcium. It is established that in the studied CAMS alloy active elements are present at a type of difficult intermetallid that positively influences quality of both ordinary, and qualitative brands of steel

Fracture toughness in some hetero-modulus composite carbides: carbon inclusions and voids. Advances in Applied Ceramics

Fracture toughness of ceramics in some cases can be significantly improved by the inclusion of low-modulus phase and even voids. Structure and mechanical characteristics of dense ceramic composites synthesised by reactive hot pressing of TiC-B4C powder mixtures at 1800 - 1950°С under 30MPa during 16 minutes are investigated. X-Ray Diffraction, Scanning Electron Microscopy and Energy Dispersive X-Ray Spectroscopy (SEM and EDX) have shown that during hot pressing solid phase chemical interaction 2TiС + B4C = 2TiВ2 + 3С has occurred resulting in TiB2-TiC-C, TiB2-C or TiB2-B4C-C hetero-modulus composite formation with approximately 1μm carbon precipitates. The volume of such precipitated carbon can reach 35 vol. %. The fracture toughness depends on the precipitate size and amount of graphite precipitation and has a distinct maximum K1C = 10MPa∙m1/2 at nearly 7 vol. % . Such fracture toughness behaviour is explained by the proposed model of crack propagation and the model-based assessment of hetero-modulus ceramic fracture toughness. It is shown that voids and low modulus carbon inclusions blunt the cracks and can increase ceramic toughness. The later has been demonstrated in the another carbon containing ceramic Cr2AlC, so named MAX phase material, when thin film fracture resistance increases as the ceramic was deposited to be porous

Very high quality factor measured in annealed fused silica

We present the results of quality factor measurements for rod samples made of fused silica. To decrease the dissipation we annealed our samples. The highest quality factor that we observed was $Q=(2.03\pm0.01)\times10^8$ for a mode at 384 Hz. This is the highest published value of $Q$ in fused silica measured to date.Comment: 8 pages, 2 figure

Design and Status of the Dipole Spectrometer Magnet for the ALICE Experiment

Proposal of abstract for MT16, Tallahesse, Florida, 26th September to 2nd October 1999.A large Dipole Magnet is required for the Muon Arm Spectrometer of the ALICE experiment at the LHC.The absence of strong requirements on the symmetry and homogeneity of the magnetic field has lead to a design dominated by economic and feasibility considerations.In March 1997 the decision was taken to build a resistive dipole magnet for the muon spectrometer of the ALICE experiment. Since then, design work has been pursued in JINR/Russia and at CERN. While a common concept has been adopted for the construction of the steel core, two different proposals have been made for the manufacturing technology of the excitation coils. In both cases, however, the conductor material will be Aluminium.The general concept of the dipole magnet is based on a window frame return yoke, fabricated from low carbon steel sheets. The flat vertical poles follow the defined acceptance angle of 9 degrees. The excitation coils are of saddle type. The coils are wound from large hollow Aluminium profiles. They are cooled by pressurized demineralised water. The coil ends are located to both sides of the magnet yoke and determine the overall length of the magnet. The main flux direction in the gap is horizontal and perpendicular to the LHC beam axis.Both coil concepts and the underlying manufacturing technology are compared and the present status of the development of the magnet is described

A twist in chiral interaction between biological helices

Using an exact solution for the pair interaction potential, we show that long, rigid, chiral molecules with helical surface charge patterns have a preferential interaxial angle ~((RH)^1/2)/L, where L is the length of the molecules, R is the closest distance between their axes, and H is the helical pitch. Estimates based on this formula suggest a solution for the puzzle of small interaxial angles in a-helix bundles and in cholesteric phases of DNA.Comment: 7 pages, 2 figures, PDF file onl