Computational screening of single-atom alloys TM@Ru(0001) for enhanced electrochemical nitrogen reduction reaction

Single atom alloys (SAAs) based on TM doped Ru(0001) were investigated for their nitrogen reduction activity using density functional modelling. V@Ru(0001) was found to exhibit a low negative limiting potential and the TOF of the V@Ru(0001) catalyst was shown to be high.

ANALYSIS OF FUNCTIONAL REFERENCE ARCHITECTURE THROUGH AN INDUSTRY LENS

There is an inherent tension between functional descriptions of products and structural descriptions. Traditionally system architecture combine the two, by mapping system elements to functions. In this process fundamental decisions about the embodiment of a product are often taken without proper scrutiny. Axiomatic design advocates a zigzag between functional decomposition and system break down. While this approach makes sense for ab initio design these are rare and most products are developed incrementally., This paper takes up the idea of a functional reference architecture.Conventional functional modelling advocates a hierarchical decomposition into sub function. By contrast FRAs decompose function into function chain, i.e., dependent sequences of sub function required to carry out an overall function. This allows the identification of common sub-functions in different chains, and thereby generates a lattice structure of functions rather than a tree. This enables a detailed but solution neutral description of the product.This concept has attracted interest in industry but does not have many tools and methods to develop FRA. The paper discusses some of the areas that require research

Functional model for the synthesis of nanostructures of the given quality level

Purpose: The aim of this paper is to develop a functional model for the synthesis of nanostructures of the given quality level, which will allow to effectively control the process of nanopatterning on the surface of semiconductors with tunable properties. Design/methodology/approach: The paper uses the IDEF0 methodology, which focuses on the functional design of the system under study and describes all the necessary processes with an accuracy sufficient for an unambiguous modelling of the system's activity. Based on this methodology, we have developed a functional model for the synthesis of nanostructures of the given quality level and tested its effectiveness through practice. Findings: The paper introduces a functional model for the synthesis of nanostructures on the surface of the given quality level semiconductors and identifies the main factors affecting the quality of nanostructures as well as the mechanisms for controlling the formation of porous layers with tunable properties. Using the example of etching single-crystal indium phosphide electrochemically in a hydrochloric acid solution, we demonstrate that the application of the suggested model provides a means of forming nanostructures with tunable properties, assessing the quality level of the nanostructures obtained and bringing the parameters in line with the reference indicators at a qualitatively new level. Research limitations/implications: Functional modelling using the IDEF0 methodology is widely used when process control is required. In this study it has been applied to control the synthesis of nanostructures of the given quality level on the surface of semiconductors. However, these studies require continuation, namely, the establishment of correlations between the technological and resource factors of synthesis and the acquired properties of nanostructures. Practical implications: This study has a significant practical effect. Firstly, it shows that functional modelling can reduce the time required to form large batches of the given quality level nanostructures. This has made it possible to substantiate the choice of the initial semiconductor parameters and nanostructure synthesis modes in industrial production from the theoretical and empirical perspective. Secondly, the presented methodology can be applied to control the synthesis of other nanostructures with desired properties and to reduce the expenses required when resources are depleted and the cost of raw materials is high. Originality/value: This paper is the first to apply the IDEF0 methodology to control the given quality nanostructure synthesis. This paper will be of value to engineers who are engaged in the synthesis of nanostructures, to researchers and scientists as well as to students studying nanotechnology.

Local R-Functional Modelling (LRFM)

A new class of functions - "FLOZ- functions" (Functions of LOcal Zeroing out), which makes it possible to form the zero domain of a scalar-valued multidimensional function of complex configuration by means of R-functional modelling is considered. We represent the solution of the inverse problem of analytical geometry for a non-convex contour construction obtained by V.L. Rvachev’s mathematical apparatus of R-functions. The problems of constructing an algorithm for automation the proposed by V.L. Rvachev solutions are described. Presented arguments show the complexity of constructing an algorithm based on recursive attachment. The functional voxel model was created in the RANOK 2D system. An approach to the function of local zeroing out (FLOZ-function) construction for the general (multidimensional) case is described. A two-dimensional function of local zeroing out is selected for solving the problem of a non-convex contour constructing. It is shown that the function of local zeroing out allows to create the sequential algorithm of automation the non-convex contour construction. Examples of automation the considered problems of V.L. Rvachev to the non- convex contour construction are given. The function of local zeroing out for three-dimensional space (3D FLOZ-function) is considered. An example of functional voxel modelling of a 3D sphere model based on a triangulated network consisted of 80 triangles is given.

General Collective Intelligence vs the Innate Collective Intelligence Factor

INTRODUCTION: Groups of individuals of species exhibiting collective behaviours have been suggested to have some innate general collective intelligence. General Collective Intelligence or GCI has been described as a platform that organizes individual humans into a single collective intelligence with the potential capacity for exponentially greater general problem-solving ability.OBJECTIVES: To explore whether a functional modelling approach might have the capacity to represent any system of organization resulting in a general collective intelligence factor. And to explore what functionality might be required for a GCI to exponentially increase it.METHODS: An analysis of the meaning of general problem-solving ability in the functional state space of a system of cognition or collective cognition is used to assess whether GCI has the potential to exponentially increase increase that ability.RESULTS: GCI has the potential to exponentially increase increase impact on all general outcomes where limited by general problem-solving abilityCONCLUSION: While an innate general collective intelligence factor might exist, and while conventional CI solutions might have significant impact on specific collective outcomes, a GCI is required to exponentially general problem-solving ability, and therefore to exponentially increase collective outcomes. This capacity has the potential to be disruptive.