On representing chemical environments

We review some recently published methods to represent atomic neighbourhood environments, and analyse their relative merits in terms of their faithfulness and suitability for fitting potential energy surfaces. The crucial properties that such representations (sometimes called descriptors) must have are differentiability with respect to moving the atoms, and invariance to the basic symmetries of physics: rotation, reflection, translation, and permutation of atoms of the same species. We demonstrate that certain widely used descriptors that initially look quite different are specific cases of a general approach, in which a finite set of basis functions with increasing angular wave numbers are used to expand the atomic neighbourhood density function. Using the example system of small clusters, we quantitatively show that this expansion needs to be carried to higher and higher wave numbers as the number of neighbours increases in order to obtain a faithful representation, and that variants of the descriptors converge at very different rates. We also propose an altogether new approach, called Smooth Overlap of Atomic Positions (SOAP), that sidesteps these difficulties by directly defining the similarity between any two neighbourhood environments, and show that it is still closely connected to the invariant descriptors. We test the performance of the various representations by fitting models to the potential energy surface of small silicon clusters and the bulk crystal.

Performance of magnesia cements in porous blocks in acid and magnesium environments

The performance of porous blocks containing three different reactive magnesia-based cements - namely magnesia alone, magnesium oxide: Portland cement (PC) in 1:1 ratio, cured in ambient conditions, and magnesia alone, cured at elevated carbon dioxide conditions, in hydrochloric acid and magnesium sulfate solution - was investigated. Different aggressive chemical solution conditions were used, to which the samples were exposed for up to 12 months and then tested for strength and microstructure. The performance was also compared with that of standard PC-based blocks. The results showed the significant resistance to chemical attack offered by magnesia, both alone and with PC blend in the porous blocks when cured under ambient carbon dioxide conditions, and confirmed the much poorer performance of blocks made from PC alone. The blocks of solely magnesia cured in elevated carbon dioxide conditions, at 20% concentration, showed slightly lower resistance to acid attack than PC; however, the resistance to sulfate attack was much higher. © 2012 Thomas Telford Ltd.

Dynamic programming solutions for decentralized state-feedback LQG problems with communication delays

This paper presents explicit solutions for a class of decentralized LQG problems in which players communicate their states with delays. A method for decomposing the Bellman equation into a hierarchy of independent subproblems is introduced. Using this decomposition, all of the gains for the optimal controller are computed from the solution of a single algebraic Riccati equation. © 2012 AACC American Automatic Control Council).

Density stratified environments: The double-tank method

We present an alternative method of producing density stratifications in the laboratory based on the 'double-tank' method proposed by Oster (Sci Am 213:70-76, 1965). We refer to Oster's method as the 'forced-drain' approach, as the volume flow rates between connecting tanks are controlled by mechanical pumps. We first determine the range of density profiles that may be established with the forced-drain approach other than the linear stratification predicted by Oster. The dimensionless density stratification is expressed analytically as a function of three ratios: the volume flow rate ratio n, the ratio of the initial liquid volumes λ and the ratio of the initial densities ψ. We then propose a method which does not require pumps to control the volume flow rates but instead allows the connecting tanks to drain freely under gravity. This is referred to as the 'free-drain' approach. We derive an expression for the density stratification produced and compare our predictions with saline stratifications established in the laboratory using the 'free-drain' extension of Oster's method. To assist in the practical application of our results we plot the region of parameter space that yield concave/convex or linear density profiles for both forced-drain and free-drain approaches. The free-drain approach allows the experimentalist to produce a broad range of density profiles by varying the initial liquid depths, cross-sectional and drain opening areas of the tanks. One advantage over the original Oster approach is that density profiles with an inflexion point can now be established. © 2008 Springer-Verlag.

Efficient statistical electromagnetic analysis in reverberant environments

This paper presents a statistical approach to the electromagnetic analysis of a system that lies within a reverberant cavity that has random or uncertain properties. The need to solve Maxwell's equations within the cavity is avoided by employing a relation known as the diffuse field reciprocity principle, which leads directly to the ensemble mean squared response of the system; all that is required is the impedance matrix of the system associated with radiation into infinite space. The general theoretical approach is presented, and the analysis is then applied to a five-cable bundle in a reverberation room © 2013 EMC Europe Foundation.

Developing ISO 14649-based conversational programming system for multi-channel complex machine tools

A multi-channel complex machine tool (MCCM) is a versatile machining system equipped with more than two spindles and turrets for both turning and milling operations. Despite the potential of such a tool, the value of the hardware is largely dependent on how the machine tools are effectively programmed for machining. In this paper we consider a shop-floor programming system based on ISO 14649 (called e-CAM), the international standard for the interface between computer-aided manufacture (CAM) and computer numerical control (CNC). To be deployed in practical industrial usage a great deal of research has to be carried out. In this paper we present: 1) Design consideration for an e-CAM system, 2) The architecture design of e-CAM, 3) Major algorithms to fulfill the modules defined in the architecture, and 4) Implementation details.

Large-payload climbing in complex vertical environments using thermoplastic adhesive bonds

Despite many approaches proposed in the past, robotic climbing in a complex vertical environment is still a big challenge. We present here an alternative climbing technology that is based on thermoplastic adhesive (TPA) bonds. The approach has a great advantage because of its large payload capacity and viability to a wide range of flat surfaces and complex vertical terrains. The large payload capacity comes from a physical process of thermal bonding, while the wide applicability benefits from rheological properties of TPAs at higher temperatures and intermolecular forces between TPAs and adherends when being cooled down. A particular type of TPA has been used in combination with two robotic platforms, featuring different foot designs, including heating/cooling methods and construction of footpads. Various experiments have been conducted to quantitatively assess different aspects of the approach. Results show that an exceptionally high ratio of 500% between dynamic payloads and body mass can be achieved for stable and repeatable vertical climbing on flat surfaces at a low speed. Assessments on four types of typical complex vertical terrains with a measure, i.e., terrain shape index ranging from -0.114 to 0.167, return a universal success rate of 80%-100%. © 2004-2012 IEEE.