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Ab initio machine-learning unveils strong anharmonicity in non-Arrhenius self-diffusion of tungsten.
Nat Commun
January 2025
Institute for Materials Science, University of Stuttgart, D-70569, Stuttgart, Germany.
The knowledge of diffusion mechanisms in materials is crucial for predicting their high-temperature performance and stability, yet accurately capturing the underlying physics like thermal effects remains challenging. In particular, the origin of the experimentally observed non-Arrhenius diffusion behavior has remained elusive, largely due to the lack of effective computational tools. Here we propose an efficient ab initio framework to compute the Gibbs energy of the transition state in vacancy-mediated diffusion including the relevant thermal excitations at the density-functional-theory level.
View Article and Find Full Text PDFQuality by Design in continuous bioprocessing: Investigating the impact of critical process parameters of multi-column chromatography during steady-state and transient phases.
J Chromatogr A
December 2024
Downstream Processing, Bioprocessing Technology Institute (BTI), Agency for Science, Technology and Research (A*STAR), 20 Biopolis Way, Centros #06-01 138668, Singapore. Electronic address:
Given the complexities of continuous bioprocessing, it is critical to thoroughly investigate the process parameters unique to multi-column chromatography (MCC) and their potential impacts. However, existing studies have focused on either loading densities or residence time at steady states only, and their combined impact on critical quality attributes (CQAs) especially during transient phases were less known. In this study, we investigated the impact of critical process parameters during both steady-state and transient phases (start-up, close-down, and intermediate perturbation) through full factorial design.
View Article and Find Full Text PDFPreliminary study of gunshot residues in entry holes at different angles: Feasibility of using LIBS to support trajectory estimation.
Forensic Sci Int
December 2024
Ballistics Section of the Spanish Scientific Police Headquarters (National Police), Julián González Segador s/n, Madrid, Spain; Instituto Universitario de Investigación en Ciencias Policiales (IUICP), Universidad de Alcalá, Alcalá de Henares, Madrid, Spain.
Firearm-related scenarios can be highly complex, involving multiple shooters, firearms, types of ammunition, victims, and various impact zones. Obtaining the maximum amount of information to connect each piece of the puzzle is crucial for resolving these cases. Currently, new tools are being developed in the forensic field that facilitate both fieldwork and laboratory analysis, enabling the estimation of trajectories, identification of shooters, and more.
View Article and Find Full Text PDFRice yield and energy balance in an agrivoltaic system established in Shonai plain, northern Japan.
Sci Total Environ
January 2025
Graduate School of Agricultural Science, Tohoku University, Sendai, Japan.
An agrivoltaic system (AVS), wherein crops and electricity are simultaneously produced on the same agricultural land, contributes to renewable energy production and food security. AVS is expected to expand energy production in rural areas; however, its energy balance has not been comprehensively investigated. In this study, the energy balance of an AVS established in 2021 in the paddy fields on Shonai Plain was determined.
View Article and Find Full Text PDFAutumn and winter air phytofiltration - Are plants able to biofilter air during peak pollutant emissions?
J Environ Manage
January 2025
Section of Basic Research in Horticulture, Department of Plant Protection, Institute of Horticultural Sciences, Warsaw University of Life Sciences-SGGW (WULS-SGGW), Nowoursynowska 159, 02-776, Warsaw, Poland; Centre for Climate Research SGGW, Warsaw University of Life Sciences-SGGW (WULS-SGGW), Nowoursynowska 166, 02-787, Warsaw, Poland. Electronic address:
Air pollution is highest in winter. The high concentration of particulate matter (PM) and trace elements (TE) after the growing season is influenced by increased pollutant emissions, unfavorable meteorological conditions, and the low efficiency of air phytofiltration. Plants that can remove pollutants from the air during the growing season are leafless in autumn/winter, and therefore unable to capture PM/TE effectively.
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