Studies on silane to 70 GPa

Raman and X-ray diffraction studies were made on silane in the diamond anvil cell using three different gaskets, stainless steel, tungsten and rhenium. The structure existing between 10 and 27 GPa is well characterized by the monoclinic space group P21c (#14). While the Gibbs free energy of formation of silane is positive at one atmosphere, it is calculated from the equation of state of silane and its reactants that this becomes negative near 4 GPa and remains negative until 13 GPa and then becomes positive again. At about 27 GPa, where quasi-quantum mechanical calculations suggest there should be a transformation from 4-fold to 6-fold (or even higher), the sample turns black. The Raman modes seize to exist beyond 30 GPa after showing softening above 25 GPa. At higher pressures it turns silvery. The gaskets play a different role as will be discussed. The sample brought back from 70 GPa contains amorphous Si (with attached hydrogen) as well as crystalline silicon. The lowest free energy system at high pressure is the decomposed reactants as observed

Dipole Interactions and Electrical Polarity in Nanosystems -- the Clausius-Mossotti and Related Models

Point polarizable molecules at fixed spatial positions have solvable electrostatic properties in classical approximation, the most familiar being the Clausius-Mossotti (CM) formula. This paper generalizes the model and imagines various applications to nanosystems. The behavior is worked out for a sequence of octahedral fragments of simple cubic crystals, and the crossover to the bulk CM law is found. Some relations to fixed moment systems are discussed and exploited. The one-dimensional dipole stack is introduced as an important model system. The energy of interaction of parallel stacks is worked out, and clarifies the diverse behavior found in different crystal structures. It also suggests patterns of self-organization which polar molecules in solution might adopt. A sum rule on the stack interaction is found and tested. Stability of polarized states under thermal fluctuations is discussed, using the one-dimensional domain wall as an example. Possible structures for polar hard ellipsoids are considered. An idea is formulated for enhancing polarity of nanosystems by intentionally adding metallic coatings.Comment: 18 pages (includes 6 embedded figures and 3 tables). New references, and other small improvements. Scheduled for publication by J. Chem. Phys., Jan. 200

Evolution equations for slowly rotating stars

We present a hyperbolic formulation of the evolution equations describing non-radial perturbations of slowly rotating relativistic stars in the Regge--Wheeler gauge. We demonstrate the stability preperties of the new evolution set of equations and compute the polar w-modes for slowly rotating stars.Comment: 27 pages, 2 figure

Atomistic Simulations of Nanotube Fracture

The fracture of carbon nanotubes is studied by atomistic simulations. The fracture behavior is found to be almost independent of the separation energy and to depend primarily on the inflection point in the interatomic potential. The rangle of fracture strians compares well with experimental results, but predicted range of fracture stresses is marketly higher than observed. Various plausible small-scale defects do not suffice to bring the failure stresses into agreement with available experimental results. As in the experiments, the fracture of carbon nanotubes is predicted to be brittle. The results show moderate dependence of fracture strength on chirality.Comment: 12 pages, PDF, submitted to Phy. Rev.

Magnetic Properties of Undoped C60C_{60}

The Heisenberg antiferromagnet, which arises from the large $U$ Hubbard model, is investigated on the $C_{60}$ molecule and other fullerenes. The connectivity of $C_{60}$ leads to an exotic classical ground state with nontrivial topology. We argue that there is no phase transition in the Hubbard model as a function of $U/t$, and thus the large $U$ solution is relevant for the physical case of intermediate coupling. The system undergoes a first order metamagnetic phase transition. We also consider the S=1/2 case using perturbation theory. Experimental tests are suggested.Comment: 12 pages, 3 figures (included

Accurate strain measurements in highly strained Ge microbridges

Ge under high strain is predicted to become a direct bandgap semiconductor. Very large deformations can be introduced using microbridge devices. However, at the microscale, strain values are commonly deduced from Raman spectroscopy using empirical linear models only established up to 1.2% for uniaxial stress. In this work, we calibrate the Raman-strain relation at higher strain using synchrotron based microdiffraction. The Ge microbridges show unprecedented high tensile strain up to 4.9 % corresponding to an unexpected 9.9 cm-1 Raman shift. We demonstrate experimentally and theoretically that the Raman strain relation is not linear and we provide a more accurate expression.Comment: 10 pages, 4 figure

The rotational modes of relativistic stars: Numerical results

We study the inertial modes of slowly rotating, fully relativistic compact stars. The equations that govern perturbations of both barotropic and non-barotropic models are discussed, but we present numerical results only for the barotropic case. For barotropic stars all inertial modes are a hybrid mixture of axial and polar perturbations. We use a spectral method to solve for such modes of various polytropic models. Our main attention is on modes that can be driven unstable by the emission of gravitational waves. Hence, we calculate the gravitational-wave growth timescale for these unstable modes and compare the results to previous estimates obtained in Newtonian gravity (i.e. using post-Newtonian radiation formulas). We find that the inertial modes are slightly stabilized by relativistic effects, but that previous conclusions concerning eg. the unstable r-modes remain essentially unaltered when the problem is studied in full general relativity.Comment: RevTeX, 29 pages, 31 eps figure

In-Situ Nuclear Magnetic Resonance Investigation of Strain, Temperature, and Strain-Rate Variations of Deformation-Induced Vacancy Concentration in Aluminum

Critical strain to serrated flow in solid solution alloys exhibiting dynamic strain aging (DSA) or Portevin–LeChatelier effect is due to the strain-induced vacancy production. Nuclear magnetic resonance (NMR) techniques can be used to monitor in situ the dynamical behavior of point and line defects in materials during deformation, and these techniques are nondestructive and noninvasive. The new CUT-sequence pulse method allowed an accurate evaluation of the strain-enhanced vacancy diffusion and, thus, the excess vacancy concentration during deformation as a function of strain, strain rate, and temperature. Due to skin effect problems in metals at high frequencies, thin foils of Al were used and experimental results correlated with models based on vacancy production through mechanical work (vs thermal jogs), while in situ annealing of excess vacancies is noted at high temperatures. These correlations made it feasible to obtain explicit dependencies of the strain-induced vacancy concentration on test variables such as the strain, strain rate, and temperature. These studies clearly reveal the power and utility of these NMR techniques in the determination of deformation-induced vacancies in situ in a noninvasive fashion.

Quantum Dynamics in Non-equilibrium Strongly Correlated Environments

We consider a quantum point contact between two Luttinger liquids coupled to a mechanical system (oscillator). For non-vanishing bias, we find an effective oscillator temperature that depends on the Luttinger parameter. A generalized fluctuation-dissipation relation connects the decoherence and dissipation of the oscillator to the current-voltage characteristics of the device. Via a spectral representation, this result is generalized to arbitrary leads in a weak tunneling regime.Comment: 4 pages, 1 figur

Photoelectric Emission from Interstellar Dust: Grain Charging and Gas Heating

We model the photoelectric emission from and charging of interstellar dust and obtain photoelectric gas heating efficiencies as a function of grain size and the relevant ambient conditions. Using realistic grain size distributions, we evaluate the net gas heating rate for various interstellar environments, and find less heating for dense regions characterized by R_V=5.5 than for diffuse regions with R_V=3.1. We provide fitting functions which reproduce our numerical results for photoelectric heating and recombination cooling for a wide range of interstellar conditions. In a separate paper we will examine the implications of these results for the thermal structure of the interstellar medium. Finally, we investigate the potential importance of photoelectric heating in H II regions, including the warm ionized medium. We find that photoelectric heating could be comparable to or exceed heating due to photoionization of H for high ratios of the radiation intensity to the gas density. We also find that photoelectric heating by dust can account for the observed variation of temperature with distance from the galactic midplane in the warm ionized medium.Comment: 50 pages, including 18 figures; corrected title and abstract field