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Keywords: ab initio; electronic structure; FANCI; method development; Python Abstract Fanpy is a free and open-source Python library for developing and testing multideterminant wavefunctions and related ab initio methods in electronic structure theory. The main use of Fanpy is to quickly prototype new methods by making it easier to convert the mathematical formulation of a new wavefunction ansätze to a working implementation. Fanpy is designed based on our recently introduced Flexible Ansatz for N-electron Configuration Interaction (FANCI) framework, where multideterminant wavefunctions are represented by their overlaps with Slater determinants of orthonormal spin-orbitals. In the simplest case, a new wavefunction ansatz can be implemented by simply writing a function for evaluating its overlap with an arbitrary Slater determinant. Fanpy is modular in both implementation and theory: the wavefunction model, the system's Hamiltonian, and the choice of objective function are all independent modules. This modular structure makes it easy for users to mix and match different methods and for developers to quickly explore new ideas. Fanpy is written purely in Python with standard dependencies, making it accessible for various operating systems. In addition, it adheres to principles of modern software development, including comprehensive documentation, extensive testing, quality assurance, and continuous integration and delivery protocols. This article is considered to be the official release notes for the Fanpy library. Article Note: Funding information Canada Research Chairs; Natural Sciences and Engineering Research Council of Canada; CANARIE; Compute Canada; Research Board of Ghent University; University of Florida Byline: Taewon D. Kim, M. Richer, Gabriela Sánchez-Díaz, Ramón Alain Miranda-Quintana, Toon Verstraelen, Farnaz Heidar-Zadeh, Paul W. Ayers

Electrochemical reactions -- Analysis, Sensors -- Analysis, Gases, Asphyxiating and poisonous -- War use, and Nerve gas -- Analysis

Keywords: Fused deposition modeling; 3D-printed nanocarbon electrodes; Organophosphates; Electrochemistry Abstract 3D-printing has revolutionized various industries and scientific research by its substantial benefits such as fast prototyping, high accuracy, durability, and customized shapes. Fused deposition modeling has been used in the fabrication of 3D-printed nanocarbon electrodes. Utilization of these 3D-printed nanocarbon electrodes in the identification of organophosphates (OPs) such as parathion, methyl parathion, paraoxon, and fenitrothion, has not been reported. These compounds are highly toxic and used as chemical warfare agents and pesticides. Herein, we show that 3D-printing can be utilized for low-cost and diagnosis of priority nerve agents. Supporting information: Additional Supporting Information may be found in the online version of this article As a service to our authors and readers, this journal provides supporting information supplied by the authors. Such materials are peer reviewed and may be re-organized for online delivery, but are not copy-edited or typeset. Technical support issues arising from supporting information (other than missing files) should be addressed to the authors. CAPTION(S): Supporting Information Byline: Jyoti, Edurne Redondo, Osamah Alduhaish, Martin Pumera

Advertising campaigns -- Analysis, Gums and resins industry -- Analysis, 3D printing -- Analysis, Polymethylmethacrylate -- Analysis, Raw materials -- Analysis, Microfluidics -- Analysis, Finite element method -- Analysis, Polymers -- Analysis, and Simulation methods -- Analysis

Keywords micro manufacturing; micro injection moulding; additive manufacturing; simulation; thermal behaviour Abstract One of the future challenges is to satisfy a manufacturing market in which the raw material and its storage are increasingly limited, while the need for product diversification is growing. In this context, the global market, especially in the biomedical sectors, sees a growing interest in the miniaturization of products and features for which micro injection moulding ([micro]IM) seems to be ready. Improvement in mould flexibility in terms of reconfigurability of the cavity mould and features is requested to [micro]IM. A tailored insert approach for the micro mould has been adopted to study different materials and micro manufacturing technologies to produce the inserts with such extreme features. Novel high temperature resins for additive manufacturing, able to withstand temperatures up to 250[degree]C, are used to realize inserts for [micro]IM prototyping and small batches. A numerical simulation of the process to produce a 400[micro]m thick thin plates of polymethylmethacrylate (PMMA), a typical benchmark and polymer for microfluidic applications, has been conducted to evaluate the thermal behavior of the resin insert on the molten polymer with respect to the steel one. The results evidenced an isolating behavior of the resin which reduces the thermal dissipation with consequent lower viscosity also during the packing pressure. To validate the results an experimental campaign, was made using both a steel insert and a high-temperature resistance resin insert. The part produced with the resin insert presented diffused flash, a defect usually correlated to high melt temperature and high injection pressure. Author Affiliation: (a) Institute of Intelligent and Industrial Systems and Technologies for Advanced Manufacturing (STIIMA), National Research Council (CNR), via Paolo Lembo 38F, Bari, Italy (b) Advanced Prototype Laboratory, Department of Mechanical and Industrial Engineering, University of Brescia, via Branze 38, Brescia, Italy Byline: B. Stampone [benedetta.stampone@stiima.cnr.it] (a), M. Ravelli [m.ravelli009@studenti.unibs.it] (b), L. Giorleo [luca.giorleo@unibs.it] (b), G. Trotta [gianluca.trotta@stiima.cnr.it] (a)

Keywords Industry 4.0; digitalization; SMEs; condition-based maintenance Abstract As the pressure for companies to advance towards the Industry 4.0 paradigm increases, small and medium-sized enterprises (SMEs) still lack financial and human resources. Therefore, research should investigate how SMEs can digitalize their business operations. Through a literature review, three focus areas of digitalization in SMEs are determined: IT infrastructure, data collection and analysis, and prototyping. In combination with these, the previous literature shows that SMEs should innovate using their existing resources, consider the feasibility of their existing data, and optimize their IT infrastructure to improve their digital maturity. Moreover, companies should be able to develop their maintenance strategy by increasing their data maturity. Therefore, this paper investigates how a case company can use existing IT systems and data to advance its maintenance strategy. The results from the case study conclude that companies can indeed improve some of their maintenance activities by innovating using their existing IT infrastructure and data. Author Affiliation: (a) Aarhus University BTECH Herning, Birk Centerpark 40, 7400 Herning, Denmark Byline: Oliver Fuglsang Grooss [ofg@btech.au.dk] (a)

Thin films, Nitrides, Dielectric films, and Aluminum compounds

Keywords: aluminum nitride (AlN); piezoelectric thin film; quartz; surface acoustic wave device Abstract In this paper, we have fabricated surface acoustic wave (SAW) devices with six sets of interdigital transducers (IDTs) on half-inch wafers of quartz with deposited thin films of aluminum nitride (AlN). Firstly, AlN thin films have been deposited by reactive sputtering in Ar-N.sub.2 gas mixture at 400°C with the high-power impulse magnetron sputtering (HiPIMS) system which was developed for microfabrication process in the localized clean environment with half-inch wafer (Minimal Fab). After that, IDTs of Al thin films have been prepared on the AlN thin films. The X-ray diffraction (XRD) pattern of the AlN thin films shows that the AlN films have c-axis (002) orientation. Furthermore, the frequency responses have been measured with four paired IDTs of the SAW devices, which were selected from six sets of IDTs as an input electrode and an output electrode. These results show device properties responding to the design of the IDTs and also suggest the potential of the fabricated SAW devices as the four-paralleled frequency filter and/or sensing system. Biographical information: Asahi Nagano, student member. In 2021 graduated from Kyushu Institute of Technology (School of Computer Sci. and Systems Eng., Mech. Information Sci. and Tech.). B.Eng. (Computer Eng.). Since 2021 postgraduate studies at the Grad. School (Grad. School of Computer Sci. and Systems Eng., Dept. of Interdisciplinary Informatics). Research in fabrication and application of SAW devices and micro-heaters. Kanato Kitamura, non-member. In 2019 graduated from Kyushu Institute of Technology (School of Computer Sci. and Systems Eng., Mech. Information Sci. and Tech.), 2019-2021 postgraduate studies at the Grad. School (Grad. School of Computer Sci. and Systems Eng., Dept. of Creative Informatics). When at the Grad. School, research in design, fabrication, and application of various micro-devices including SAW devices. M.Eng. (Computer Eng.). Shuichi Noda, non-member. In 1984 completed master's course at Niigata University (Grad. School of Eng., Dept. of Chem. Eng.), and was employed by Oki Electric. Development of processes and systems for micromachining using electron beams, SOR light, and plasma etching. 2005 completed doctorate at Tohoku University (Grad. School of Eng., Dept. of Mech. Eng. Intelligent Systems). D.Eng. In 2009 was employed by AIST (Nanoelectronics Research Center), 2015 Tohoku University (Micro System Integration Center), since 2017 invited senior researcher at AIST (Device Technology Research Institute). Development of various manufacturing processes and equipments for Minimal Fab. Sunao Murakami, member. In 2006 completed doctoral course at Kyushu University (Grad. School of Eng., Chem. Eng.). D.Eng. Was worked at National Cardiovascular Center Research Institute, then post-doctoral research fellow at AIST, 2012 assistant professor at Kyushu Institute of Technology (Fac. of Computer Sci. and Systems Eng.), since 2018 associate professor. Design and prototyping of various microdevice and systems including SAW devices, research and education in micromachining of silicon glass and various thin films. Kohei Iguchi, non-member. In 2020 graduated from Kyushu Institute of Technology (School of Computer Sci. and Systems Eng., Mech. Information Sci. and Tech.), 2020-2022 postgraduate studies at the Grad. School (Grad. School of Computer Sci. and Systems Eng., Dept. of Interdisciplinary Informatics). When at the Grad. School, research microfabrication processes for SAW devices. M.Eng. (Computer Eng.). Sommawan Khumpuang, non-member. In 2002 completed master's course at University of Bristol (UK), 2006 completed doctorate at Ritsumeikan University (Grad. School of Sci. and Eng.), 2007 worked at University of Freiburg (Germany), 2011 employed by AIST to develop Minimal Fab together with S. Hara (see below), including launch of Minimal Fab systems and trial manufacture of various microdevices. Now senior researcher at AIST (Device Technology Research Institute). Shiro Hara, non-member. Assistant professor at Waseda University (Fac. of Sci. and Eng.), then post-doctral research fellow at RIKEN, 1993 employed by the Electrotechnical Laboratory. Now prime senior researcher at AIST (Device Technology Research Institute) and head of Minimal System Group. 2012-2015 project leader of Minimal Fab National Project (Minimal Fab). Now founded Minimal Fab Promotion Organization to promote industrialization. Article Note: Translated from Volume 142 Number 9, pages 248-253, DOI: 10.1541/ieejsmas.142.248 of IEEJ Transactions on Sensors and Micromachines (Denki Gakkai Ronbunshi E) Byline: Asahi Nagano, Kanato Kitamura, Shuichi Noda, Sunao Murakami, Kohei Iguchi, Sommawan Khumpuang, Shiro Hara

Biogenic amines, Microfluidics, Polyamines, Dimethylpolysiloxane, and Rapid prototyping

Keywords: electrochemiluminescence; microfluidics; biogenic amines; tris(2,2'-bipyridyl)ruthenium(II); carbon electrodes Abstract A simple, sensitive, and rapid electrochemiluminescent (ECL) method was developed for the detection of several polyamines on a microfluidic chip. Rapid prototyping of poly(dimethylsiloxane) was used to fabricate flow channels and carbon paste microelectrodes. These devices are easily fabricated and amenable to ECL detection due to their planar and optically transparent nature. The ECL reaction between tris(2,2'-bipyridyl)ruthenium(II) and amine-containing co-reactants was used to generate the ECL signal. Experimental parameters were optimized and low micromolar limits of detection (S/N=3) were determined for four different polyamines. The method was successfully used to determine the concentration of spermine in milk samples. Supporting information: Additional Supporting Information may be found in the online version of this article As a service to our authors and readers, this journal provides supporting information supplied by the authors. Such materials are peer reviewed and may be re-organized for online delivery, but are not copy-edited or typeset. Technical support issues arising from supporting information (other than missing files) should be addressed to the authors. CAPTION(S): Supporting Information Byline: Erin M. Gross, Emily R. Lowry, Leah V. Schaffer, Charles S. Henry