Intrinsic reactivity of gold nanoparticles: Classical, semi-empirical and DFT studies

Gold nanoparticles used in most experiments (1–10 nm) in gold catalysis show varying degrees of reactivity, with particles below 5 nm generally being more reactive. The origin of this activity is a subject of a number of model experiments and theoretical studies on either clusters of a few atoms in size or extended surfaces (smooth or stepped). In the work described here, a classical theory for the variation of the metal workfunction with cluster size, Extended Hückel Theory (EHT) calculations combined with DFT calculations, as well as a carbon monoxide (CO) chemisorption model are combined to develop a relationship between metal particle size and the particle's reactivity towards CO. For gold, it is shown that while the contribution of the d-band hybridization energy to the total CO chemisorption energy is unfavourable for bulk gold, this is not true for gold particles below 5–6 nm. That is, the d-band hybridization energy is negative for small gold particles. This is believed to be explanation of the onset of high reactivity for small gold particles.     

Elevated temperature Mg-Al-Sr: Creep resistance,mechanical properties,and microstructure

Mg-Al-Sr-based alloys (AJ alloys) have shown superior creep performance and tensile strength at temperatures as high as 175° with stresses up to 70 MPa. Mg-6Al-2.4Sr (AJ62x) exhibits an optimum combination of creep resistance and excellent castability, while AJ62Lx (strontium <2.1) has better ductility than other AJ formulations. The AJ alloy microstructure is characterized by the Al₄Sr-α(Mg) lamellar phase that forms at the interdendritic/grain boundary region of the primary magne sium matrix. Mg-5Al-2Sr (AJ52x) contains a ternary phase that was tentatively named Al₃Mg₁₃Sr. When the strontium level is low in AJ62x, the volume fraction of Al₄Sr is reduced, the aluminum supersaturation of the magnesium primary phase increases, and Mg₁₇Al₁₂ forms. In this article, a mechanism is proposed whereby the creep resistance decreases with the strontium level but the tensile strength and ductility increase. For more information, contact Eric Baril, Noranda, Noranda Technologies Centre, 240 Hymus Pointe-Claire (Montréal), Québec, H9R 1G5 Canada; (514) 630-9347; fax (514) 630-9379; e-mail eric.baril@ntc.noranda.com.     

Runout effects in milling: Surface finish, surface location error, and stability

This paper investigates the effect of milling cutter teeth runout on surface topography, surface location error, and stability in end milling. Runout remains an important issue in machining because commercially-available cutter bodies often exhibit significant variation in the teeth/insert radial locations; therefore, the chip load on the individual cutting teeth varies periodically. This varying chip load influences the machining process and can lead to premature failure of the cutting edges. The effect of runout on cutting force and surface finish for proportional and non-proportional tooth spacing is isolated here by completing experiments on a precision milling machine with 0.1 μm positioning repeatability and 0.02 μm spindle error motion. Experimental tests are completed with different amounts of radial runout and the results are compared with a comprehensive time-domain simulation. After verification, the simulation is used to explore the relationships between runout, surface finish, stability, and surface location error. A new instability that occurs when harmonics of the runout frequency coincide with the dominant system natural frequency is identified.     

Perfect Laplacians for Polygon Meshes

A discrete Laplace‐Beltrami operator is called perfect if it possesses all the important properties of its smooth counterpart. It is known which triangle meshes admit perfect Laplace operators and how to fix any other mesh by changing the combinatorics. We extend the characterization of meshes that admit perfect Laplacians to general polygon meshes. More importantly, we provide an algorithm that computes a perfect Laplace operator for any polygon mesh without changing the combinatorics, although, possibly changing the embedding. We evaluate this algorithm and demonstrate it at applications.     

Performance control for interconnection of identical systems: Application to PLL network design

In this paper, the problem of the control law design for interconnected identical systems ensuring the global stability and the global performance properties is under consideration. Inspired by the decentralized control law design methodology using the dissipativity input–output approach, the problem is reduced to the problem of satisfying two conditions: (i) the condition on the interconnection and (ii) the condition on the local subsystem dynamics. Both problems are efficiently solved applying a (quasi‐) convex LMI optimization and standard H_∞ synthesis. The proposed design methodology is applied to the control law design of a synchronous PLL network. Copyright © 2014 John Wiley & Sons, Ltd.     

A system framework for gamified Cost Engineering

This study develops a system framework and an enterprise IT solution for integrating gamification elements to efficiently implement and continuously perform Cost Engineering. Cost Engineering is a systematic approach to manage knowledge and competencies regarding costs reduction measures throughout the life cycle of products and is technology, resource and time intensive. Gamification as a non-monetary multidimensional incentive system holds great potential to implement and establish Cost Engineering in a novel and less resource demanding manner and stipulate knowledge sharing and dissemination. Building on a review of the relevant literature we conducted 20 interviews with experts from eight companies of the German and Austrian high-tech manufacturing industry to examine the system requirements from an organizational perspective. Analyzing the interviews, we found that companies need a flexible platform where the game elements help to align management objectives with concrete tasks, meet legislative regulations and have different evaluation methods. Our proposed system framework combines the organizational and IT requirements with gamification elements to efficiently steer Cost Engineering methods and best manage knowledge and competencies.     

Extracting Microfacet‐based BRDF Parameters from Arbitrary Materials with Power Iterations

We introduce a novel fitting procedure that takes as input an arbitrary material, possibly anisotropic, and automatically converts it to a microfacet BRDF. Our algorithm is based on the property that the distribution of microfacets may be retrieved by solving an eigenvector problem that is built solely from backscattering samples. We show that the eigenvector associated to the largest eigenvalue is always the only solution to this problem, and compute it using the power iteration method. This approach is straightforward to implement, much faster to compute, and considerably more robust than solutions based on nonlinear optimizations. In addition, we provide simple conversion procedures of our fits into both Beckmann and GGX roughness parameters, and discuss the advantages of microfacet slope space to make our fits editable. We apply our method to measured materials from two large databases that include anisotropic materials, and demonstrate the benefits of spatially varying roughness on texture mapped geometric models.     

Terrain Modelling from Feature Primitives

We introduce a compact hierarchical procedural model that combines feature‐based primitives to describe complex terrains with varying level of detail. Our model is inspired by skeletal implicit surfaces and defines the terrain elevation function by using a construction tree. Leaves represent terrain features and they are generic parametrized skeletal primitives, such as mountains, ridges, valleys, rivers, lakes or roads. Inner nodes combine the leaves and subtrees by carving, blending or warping operators. The elevation of the terrain at a given point is evaluated by traversing the tree and by combining the contributions of the primitives. The definition of the tree leaves and operators guarantees that the resulting elevation function is Lipschitz, which speeds up the sphere tracing used to render the terrain. Our model is compact and allows for the creation of large terrains with a high level o detail using a reduced set of primitives. We show the creation of different kinds of landscapes and demonstrate that our model allows to efficiently control the shape and distribution of landform features.     

Game-based creativity assessment system: the application of fuzzy theory

“Creative development” and “creativity” have become important topics in the field of education research. The assessment of creativity is a key to understanding how instructional strategies influences the creative process and the output of learners. At present, most methods of assessing creativity are paper-and-pencil tests scored by individuals. Despite the professional training of evaluators, subjectivity in scoring assessments remains inevitable. Therefore, a completely objective tool of measurement is crucial for the progress of education to eliminate the subjectivity in manual grading. This paper presents at first place a review of the literature related to the development of creativity, the assessment of creativity, and further on the means of measuring creativity, particularly in a digital game environment. Our focus is on the application of computing technologies for the assessment of creativity, while exploring the possibility of using computerized systems such as fuzzy logic and hybrid methods to produce objective measurement results. The results of Pearson correlation coefficient between the fuzzy inference scores and the Williams CAP scores is 0.805, which shows the strong construct validity. Additionally, the fuzzy inference system can eliminate subjectivity in scoring and provide analysis results to enhance creativity, unlike paper-and-pencil scores provided without explanations.     

Note: a high transmission Faraday optical isolator in the 9.2 μm range

We have fabricated and characterized an n-doped InSb Faraday isolator in the mid-IR range (9.2 μm). A high isolation ratio (31(2) dB) and low insertion loss (1.9(3) dB) are obtained. Temperature dependance is analyzed. Further possible improvements are discussed, including the realization of a two-stage isolator. A similar design can be used to cover a wide wavelength range (λ ~ 7.5-30 μm).