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On machine learnability of local contributions to interatomic potentials from density functional theory calculations.
Sci Rep
December 2024
Department of Physics, Shahid Beheshti University, Tehran, 1983969411, Iran.
Machine learning interatomic potentials, as a modern generation of classical force fields, take atomic environments as input and predict the corresponding atomic energies and forces. We challenge the commonly accepted assumption that the contribution of an atom can be learned from the short-range local environment of that atom. We employ density functional theory calculations to quantify the decay of the induced electron density and electrostatic potential in response to local perturbations throughout insulating, semiconducting and metallic samples of different dimensionalities.
View Article and Find Full Text PDFBottling it? Consumer responses to less environmentally friendly products: A choice experiment for water in plastic packaging in the UK.
J Environ Manage
December 2024
Department of Agricultural Economics, Corvinus University of Budapest, Budapest, Hungary. Electronic address:
Consumers have several options when confronted with less environmentally friendly packaging like water in single use plastic bottles - they can ignore environmental concerns and proceed with a purchase, refuse to buy any such product, seek out a less damaging version like water in biodegradable bottles, and/or engage in offsetting/compensatory behavior such as donating to a charity. Understanding how consumers value these options is an important academic and management challenge. To address this, a stated choice experiment is employed.
View Article and Find Full Text PDFMother-newborn couplet care and the expectations, concerns and educational needs of healthcare professionals: a qualitative study.
BMJ Open
December 2024
Centre for Clinical Research and Prevention, Bispebjerg Hospital, Copenhagen, Frederiksberg, Denmark.
Objectives: Our aim was to explore healthcare professionals' (HCPs) expectations, concerns and educational needs regarding preparing for implementing the concept of couplet care, keeping newborns in need of intensive care together with their mothers in need of obstetrical care.
Design: A qualitative focus group study based on semistructured interviews. We analysed the data using reflexive thematic analysis.
Design of a novel high-speed tensile method for testing the high strain rate tensile behavior of aluminum alloys.
Rev Sci Instrum
December 2024
State Key Laboratory of Electrical Insulation and Power Equipment, Xi'an Jiaotong University, Xi'an 710024, People's Republic of China.
The high-strain rate mechanical behavior of aluminum alloys is crucial for the stability of electromagnetic launch systems. However, current high-strain rate testing methods are not suitable for large-scale screening of materials needed in electromagnetic launch systems due to their low precision and high cost. In this paper, a novel method for high-strain rate tensile testing of aluminum alloys based on magnetic pulse driving was proposed.
View Article and Find Full Text PDFTo be aware or not aware: Do intrusions with and without meta-awareness differ?
J Behav Ther Exp Psychiatry
March 2025
Flinders University Institute for Mental Health and Wellbeing, College of Education, Psychology and Social Work Flinders University, Bedford Park, SA 5042, Australia. Electronic address:
People sometimes re-experience traumatic events via intrusive memories that spontaneously and unintentionally intrude into consciousness (i.e., intrusions).
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