High-resolution electron microscopy of grain boundaries

Our ability to observe atomic-scale features of grain boundaries has tremendously improved during the past decade. In this paper we give, aided by a number of examples, a select overview, on progress in the field of grain boundary research directly related to the advent of modern high-resolution electron microscopy (HREM) instruments (point-to-point resolution better than 0.2 nm). Examples of grain boundary issues addressed by atomic structure observations of grain boundaries in oxides and metals will be given with emphasis on systematic investigations of the role of macroscopic and microscopic grain boundary parameters. Since comparisons between observed interface structures and atomistic computer modeling results are quite important, considerable efforts towards quantification have been undertaken recently by a number of authors. Most valuable insights have been obtained by the systematic examination of a range of grain boundary structures, using a combination of experimental observations and computer modeling results. In this manner HREM observations have been invaluable not only as a test of theoretical models, but also by exposing common atomic-scale features of high-angle grain boundaries. This has brought us closer to the goal of generating a general understanding of the interface structure and its connection to properties. Such studies have given valuable insights regarding the correlations between macroscopic grain boundary geometry, interfacial energy, and atomic relaxation modes.Work supported by the U.S. Department of Energy, Basic Energy Sciences, under contract W-31-109-Eng-38.     

Chemistry of Stable α-Halogenoorganolithium Compounds and the Mechanism of Carbenoid Reactions

Some years ago we found that α-halogenoorganolithium compounds (carbenoids) previously postulated as transient intermediates in organolithium-initiated α-eliminations can be obtained in a stable form. The present paper is a review of the methods for their preparation and of their reactivity. They possess both nucleophilic and electrophilic properties, which can be utilized singly or combained for the synthesis of substances of very different types. Their thermolability, which is considerably reduced (with only one known exception) by the solvent tetrahydrofuran, is due to electrophilic secondary reactions, in which carbenes evidently do not occur as intermediates. A mechanism is proposed which fits the experimental data for various carbenoid reactions.     

Resonantly-pumped Er3+:Y2O3 ceramic laser for remote CO2 monitoring

Laser performance of resonantly-pumped Er³⁺-doped Y₂O₃ ceramic laser for remote DIAL CO₂ monitoring is reported. Slope efficiency of 64.6% and output power of over 9.3 W have been achieved with this eyesafe, 1.6-μm, CW laser in a cryogenically cooled operation regime despite the marginal optical quality of currently available laser gain material.     

Solution-limited time stepping to enhance reliability in CFD applications

A method for enhancing the reliability of implicit computational algorithms and decreasing their sensitivity to initial conditions without adversely impacting their efficiency is investigated. Efficient convergence is maintained by specifying a large global Courant (CFL) number while reliability is improved by limiting the local CFL number such that the solution change in any cell is less than a specified tolerance. The method requires control over two key issues: obtaining a reliable estimate of the magnitude of the solution change and defining a realistic limit for its allowable variation. The magnitude of the solution change is estimated from the calculated residual in a manner that requires negligible computational time. An upper limit on the local solution change is attained by a proper non-dimensionalization of variables in different flow regimes within a single problem or across different problems. The method precludes unphysical excursions in Newton-like iterations in highly non-linear regions where Jacobians are changing rapidly as well as non-physical results such as negative densities, temperatures or species mass fractions during the computation. The method is tested against a series of problems all starting from quiescent initial conditions to identify its characteristics and to verify the approach. The results reveal a substantial improvement in convergence reliability of implicit CFD applications that enables computations starting from simple initial conditions without user intervention.     

Collective effects in grain boundary migration

In situ high-resolution transmission electron microscopy is used to study grain boundary structure and kinetics in bicrystalline Au films at elevated temperature. We report the first direct evidence for the existence of cooperative atomic motion in grain boundary migration. Certain nanoregions at grain boundaries, typically involving up to several hundred atoms, are found to switch back and forth between neighboring grains. Reversible structural fluctuations at temperatures near 0.5T(m) and above have been discovered in [110] and [001] tilt, as well as in general grain boundaries.