Atomic scale simulation of deformation in magnesium single crystals

The deformation behaviour of magnesium single crystals under plane strain conditions has been examined using molecular dynamics modelling. The simulations were based on an existing atomic potential for magnesium taken from the literature. A strain of 10% was applied at rates of 3x10⁹s^-1 and 3x10⁷s^-1. The simulations predicted the formation of mechanical twins that accommodated extension in the c-axis direction of the hexagonal unit cell. However, the predicted twin is not of the same kind found in magnesium, but is that commonly observed in titanium. It is believed that further analysis of the physical properties predicted by this interatomic potential will shed more light on the atomic processes controlling twinning in Magnesium alloys. It also highlights the need for improvements to the interatomic potential such that more accurate deformation behaviour can be attained.

Double layer structure of ionic liquids at the Au(111) electrode interface : an atomic force microscopy investigation

The double layer structure of two ionic liquids (ILs), 1-butyl-1- methylpyrrolidinium tris(pentafluoroethyl)trifluorophosphate ([Py ₁,₄]FAP) and 1-ethyl-3-methylimidazolium tris(pentafluoroethyl) trifluorophosphate ([EMIm]FAP) at the polarized Au(111) electrode interface is probed using Atomic Force Microscopy force measurements. The force-separation profiles suggest a multilayered morphology is present at the electrified Au(111)-IL interface, with more near surface layers detected at higher potentials. At the (slightly negative) open circuit potential, multiple ion layers are present, and the innermost layer, in contact with the Au(111) surface, is enriched in the cation due to electrostatic adsorption. Upon applying negative electrode potentials (-1.0 V, -2.0 V), stronger IL near surface structure is detected: both the number of ion layers and the force required to rupture these layers increases. Positive electrode potentials (+1.0 V, +2.0 V) also enhance IL near surface structure, but not as much as negative potentials, because surface-adsorbed anions are less effective at templating structure in subsequent layers than cations. This interfacial structure is not consistent with a double layer in the Stern-Gouy-Chapman sense, as there is no diffuse layer. The structure is consistent with a capicitative double-layer model, with a very small separation distance between the planes of charge.

Mark Oliphant’s adventures in atomic wonderland

Australian physicist Mark Oliphant came to hold two oppositional views, both pro and anti nuclear weapons research. This, together with the dimensions of his ‘larger than life’ personality, impacted on his scientific reputation in the fall-out of Australia’s ‘McCarthyism’. Despite his bullying the Americans into funding the A-Bomb project, the atomic juggernaut unleashed on the world caused Oliphant to rethink his role as a scientist. Oliphant clashed with American hegemony and the Menzies Government’s duplication of the ‘Reds under the Bed’ paranoia in Australia in the 1950s. His outspokenness on the danger of nuclear proliferation found him out of step with the changed political climate of the Cold War. Drawing on neglected archival material and using a Brechtian theatrical mode, my play Ion Man’s Adventures in Atomic Wonderland investigates the tragic dimensions of a man who never fully understood, as Thomas Kuhn explained (The Structure of Scientific Revolutions), that scientific research is determined as much by politics and ideology as by the desire to understand the world.

Atomic scale investigation of solutes and precipitates in high strength steels

Two steels, ferritic, high strength with interphase precipitation and nano-bainitic, were used to show the advances in and application of atom probe. The coexistence of the nano-scale, interphase Nb-Mo-C clusters and stoichiometric MC nano particles was found in the high strength steel after thermomechanical processing. Moreover, the segregation of carbon at different heterogeneous sites such as grain boundary that reduces the solute element available for fine precipitation was observed. The APT study of the solutes redistribution between the retained austenite and bainitic ferrite in the nano-bainitic steel revealed: (i) the presence of two types of the retained austenite with higher and lower carbon content and (ii) segregation of carbon at the local defects such as dislocations in the bainitic ferrite during the isothermal hold.

Atomic scale analysis of light alloys using atom probe tomography

The present paper reviews recent progress in atomic-scale characterisation of composition and nanostructure of light alloy materials using the technique of atom probe tomography. In particular, the present review will highlight atom-by-atom analysis of solid solution architecture, including solute clustering and short-range order, with reference to current limitations of spatial resolution and detector efficiency of atom probe tomography and methods to address these limitations. This leads to discussion of prediction of mechanical properties by simulation and modelling of the strengthening effect exerted by solute clusters and the role of experimental atom probe data to assist in this process. The unique contribution of atom probe tomography to the study of corrosion and hydrogen embrittlement of light alloys will also be discussed as well as a brief insight into its potential application for the investigation of solute strengthening of twinning in Mg alloys.

Quantitative secondary electron imaging for work function extraction at atomic level and layer identification of graphene

Two-dimensional (2D) materials usually have a layer-dependent work function, which require fast and accurate detection for the evaluation of their device performance. A detection technique with high throughput and high spatial resolution has not yet been explored. Using a scanning electron microscope, we have developed and implemented a quantitative analytical technique which allows effective extraction of the work function of graphene. This technique uses the secondary electron contrast and has nanometre-resolved layer information. The measurement of few-layer graphene flakes shows the variation of work function between graphene layers with a precision of less than 10 meV. It is expected that this technique will prove extremely useful for researchers in a broad range of fields due to its revolutionary throughput and accuracy.