The structure solution of the F-type i-ZnMgHf from the X-ray diffraction

ABSTRACT

We report a successful growth of the ZnMgHf F-type icosahedral quasicrystal in the form of faceted single grains. By varying the heat treatment parameters we were able to obtain single crystals with a quality suitable for a single crystal X-ray diffraction which was conducted in a synchrotron facility. Ab initio structure solution by a charge flipping algorithm manifests the existence of two types of Bergman clusters. Clusters are differentiated by the preferential occupation of the high-symmetry positions by hafnium in a rhombic triacontahedron, being the outer shell of the atomic cluster.

This paper is part of a Thematic Issue on The Crystallographic Aspects of Metallic Alloys.     

Physics‐based model of lithium‐ion batteries running on a circuit simulator

The authors developed a physics‐based equivalent circuit model of a lithium‐ion battery (LIB) whose parameters are continually updated, reflecting the theoretical calculation results of the Butler‐Volmer equation, diffusion equations of the lithium‐ion and lithium, and Nernst equations of the liquid and solid phases. The developed model was applied to the charge/discharge simulations of an LIB, and the experimental and simulated results of constant current discharges and pulsed‐charge/discharge were found to be in excellent agreement. In particular, using the developed model, analyzing transient responses of the LIB derived from the transition of the electric double layer charging to the electrode reaction is possible. These results demonstrate that the electrochemical performance of an LIB can be calculated on a circuit simulator using the developed model.     

High permittivity BaTiO3 and BaTiO3-polymer nanocomposites enabled by cold sintering with a new transient chemistry: Ba(OH)2∙8H2O

Cold sintering process (CSP) offers a promising strategy for the fabrication of innovative and advanced high permittivity dielectric nanocomposite materials. Here, we introduce Ba(OH)₂?8H₂O hydrated flux as a new transient chemistry that enables the densification of BaTiO₃ in a single step at a temperature as low as 150 °C. This remarkably low temperature is near its Curie transition of 125 °C, associated with a displacive phase transition. The cold sintered BaTiO₃ shows a relative density of 95 % and a room temperature relative permittivity over 1000. This new hydrated flux permits the fabrication of a unique dense BaTiO₃-polymer nanocomposite with a high volume fraction of ceramics ((1-x) BaTiO₃ – x PTFE, with x = 0.05). The composite exhibits a relative permittivity of approximately 800, at least an order of magnitude higher than previous reports on polymer composites with BaTiO₃ nanoparticle fillers that are typically well below 100. Unique high permittivity dielectric nanocomposites with enhanced resistivities can now be designed using polymers to engineer grain boundaries and CSP as a processing method opening up new possibilities in dielectric materials design.     

Development and field test of the articulated mobile robot T2 Snake-4 for plant disaster prevention

Abstract

In this work, we develop an articulated mobile robot that can move in narrow spaces, climb stairs, gather information, and operate valves for plant disaster prevention. The robot can adopt a tall position using a folding arm and gather information using sensors mounted on the arm. In addition, this paper presents a stair climbing method using a single backward wave. This method enables the robot to climb stairs that have a short tread. The developed robot system is tested in a field test at the World Robot Summit 2018, and the lessons learned in the field test are discussed.     

Peptides before and during the nucleotide world: an origins story emphasizing cooperation between proteins and nucleic acids

Recent developments in Origins of Life research have focused on substantiating the narrative of an abiotic emergence of nucleic acids from organic molecules of low molecular weight, a paradigm that typically sidelines the roles of peptides. Nevertheless, the simple synthesis of amino acids, the facile nature of their activation and condensation, their ability to recognize metals and cofactors and their remarkable capacity to self-assemble make peptides (and their analogues) favourable candidates for one of the earliest functional polymers. In this mini-review, we explore the ramifications of this hypothesis. Diverse lines of research in molecular biology, bioinformatics, geochemistry, biophysics and astrobiology provide clues about the progression and early evolution of proteins, and lend credence to the idea that early peptides served many central prebiotic roles before they were encodable by a polynucleotide template, in a putative ‘peptide-polynucleotide stage’. For example, early peptides and mini-proteins could have served as catalysts, compartments and structural hubs. In sum, we shed light on the role of early peptides and small proteins before and during the nucleotide world, in which nascent life fully grasped the potential of primordial proteins, and which has left an imprint on the idiosyncratic properties of extant proteins.     

Measurement of liquid water content in cathode gas diffusion electrode of polymer electrolyte fuel cell

Water management in cathode gas diffusion electrode (GDE) of polymer electrolyte fuel cell (PEFC) is essential for high performance operation, because liquid water condensed in porous gas diffusion layer (GDL) and catalyst layer (CL) blocks oxygen transport to active reaction sites. In this study, the average liquid water content inside the cathode GDE of a low-temperature PEFC is experimentally and quantitatively estimated by the weight measurement, and the relationship between the water accumulation rate in the cathode GDE and the cell voltage is investigated. The liquid water behavior at the cathode is also visualized using an optical diagnostic, and the effects of operating conditions and GDL structures on the water transport in the cathode GDE are discussed. It is found that the liquid water content in the cathode GDE increases remarkably after starting the fuel cell operation due to the water production at the CL. At a high current density, the cell voltage drops suddenly after starting the operation in spite of a low water content in the cathode GDE. When the GDL thickness is increased, much water accumulates near the cathode CL and the fuel cell shuts down immediately after the operation. In the final section of this paper, the structure of cathode GDL that has several grooves for water removal is proposed to prevent water flooding and improve fuel cell performance. This groove structure is effective to promote the removal of the liquid water accumulated near the active catalyst sites.     

Calculation of mechanical behaviors of shape memory alloy under multi-axial loading conditions

In this paper, for the calculation of the deformation behaviors of shape-memory alloy under multi-axial loading conditions with temperature changes, a two-dimensional mechanical model of polycrystalline shape memory alloy is constructed on the bases of the crystal plasticity and the deformation mechanism of shape memory alloy. In such a model, the orientation of crystal grain in the polycrystal and the loading direction can be considered. The deformation behaviors under some complex loading conditions are calculated with the model, and the results show that they are in good qualitative agreement with the experimental results.     

Detail analysis of fusion neutronics benchmark experiment for iron

In order to specify the best nuclear data on iron, the fusion neutronics benchmark experiment on iron at Japan Atomic Energy Agency (JAEA)/Fusion Neutronics Source (FNS) was analyzed in detail with MCNP-4C and the latest nuclear data libraries, JENDL-3.3, FENDL-2.1, JEFF-3.1 and ENDF/B-VII.0. As a result, totally the calculation result with ENDF/B-VII.0 agreed with the measurement best, except that it underestimated the measured neutron flux above 10 MeV with the depth. It was noted that the calculation result with JENDL-3.3 overestimated the measured neutrons below a few keV. Through the DORT calculations based on the iron data in ENDF/B-VII.0, it was found out that the first inelastic scattering cross-section data of ⁵⁷Fe in JENDL-3.3 caused the overestimation.