We investigate how low degrees of [Formula: see text] site-exchange influence the [Formula: see text] diffusion in the argyrodite-type solid electrolyte [Formula: see text] by molecular dynamics simulations. Based on the atomic trajectories of the defect-free material, a new mechanism for the internal [Formula: see text] reorganization within the [Formula: see text] cages around the [Formula: see text] sites is identified. This reorganization mechanism is highly concerted and cannot be described by just one rotation axis. Simulations with [Formula: see text] defects reveal that [Formula: see text] interstitials ([Formula: see text]) are the dominant mobile charge carriers and originate from Frenkel pairs. These are formed because [Formula: see text] defects on the [Formula: see text] sites donate one or even two [Formula: see text] to the neighbouring cages. The [Formula: see text] then carry out intercage jumps via interstitial and interstitialcy mechanisms. With that, one single [Formula: see text] defect enables [Formula: see text] diffusion over an extended spatial area explaining why low degrees of site-exchange are sufficient to trigger superionic conduction. The vacant sites of the Frenkel pairs, namely [Formula: see text], are mostly immobile and bound to the [Formula: see text] defect. Because [Formula: see text] defects on [Formula: see text] sites act as sinks for [Formula: see text] they seem to be beneficial only for the local [Formula: see text] transport. In their vicinity T4 tetrahedral sites start to get occupied. Because the [Formula: see text] transport was found to be rather confined if [Formula: see text] and [Formula: see text] defects are direct neighbours, their relative arrangement seems to be crucial for effective long-range transport. This article is part of the Theo Murphy meeting issue 'Understanding fast-ion conduction in solid electrolytes'.
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http://dx.doi.org/10.1098/rsta.2019.0458 | DOI Listing |
Sci Rep
January 2025
Center for Animal Welfare Science, Departments of Comparative Pathobiology and Animal Science, Purdue University, West Lafayette, IN, 47907, USA.
It is well established that maternal factors can affect the abilities of offspring to cope with stressors and can influence their overall welfare states. However, maternal effects have not been extensively explored in US commercial breeding kennels (CBKs). Therefore, the objective of this study was to identify if fear and stress in dams affected puppy welfare metrics in CBKs.
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January 2025
Dep. Oral Biochemistry, Academic Centre for Dentistry Amsterdam, University of Amsterdam and Vrije Universiteit Amsterdam, Amsterdam, 1081, LA, The Netherlands.
The increasing use of recreational nitrous oxide ([Formula: see text]O) in the Netherlands and its link to traffic accidents highlights the need for reliable detection methods for law enforcement. This study focused on ex vivo detection of [Formula: see text]O in exhaled breath and examining its persistence in the human body. Firstly, a low-cost portable infrared based detector was selected and validated to detect [Formula: see text]O in air.
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January 2025
School of Physics, Sun Yat-Sen University, Guangzhou, 510275, People's Republic of China.
The ground states of two-species condensates with spin-1 atoms have been studied analytically and numerically. All the results from the analytical approach are checked by the latter. The [Formula: see text] channel has been neglected, where λ is the coupled spin of two different atoms.
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January 2025
Helmholtz-Zentrum Berlin für Materialien und Energie, 13109, Berlin, Germany.
Incommensurate magnetic phases in chiral cubic crystals are an established source of topological spin textures such as skyrmion and hedgehog lattices, with potential applications in spintronics and information storage. We report a comprehensive small-angle neutron scattering (SANS) study on the B20-type chiral magnet Cr[Formula: see text]Mn[Formula: see text]Ge, exploring its magnetic phase diagram and confirming the stabilization of a skyrmion lattice under low magnetic fields. Our results reveal a helical ground state with a decreasing pitch from 40 to 35 nm upon cooling, and a skyrmion phase stable in applied magnetic fields of 10-30 mT, and over an unusually wide temperature range for chiral magnets of 6 K ([Formula: see text], [Formula: see text] K).
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January 2025
Yunnan Institute of Building Research Ltd, Kunming, Yunnan, 650223, China.
Due to various factors, the concrete may contain mud, a condition that can lead to a decrease in strength and changes in the ultrasonic acoustic parameters of the concrete. In order to study the effect of concrete mud content ([Formula: see text]) on ultrasonic acoustic parameters and compressive strength, this paper firstly derived the relationship equations between concrete mud content and acoustic parameters and compressive strength. Subsequently, the acoustic parameters and compressive strength were tested for concrete specimens with different mud contents cast on site.
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