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Self-consistent electron density with shell structure using neural network-based Pauli potential.
J Chem Phys
January 2025
Theoretical and Computational Physics Section, Raja Ramanna Centre for Advanced Technology, Indore 452013, India.
The orbital-free density functional theory (OF-DFT) based method is a convenient tool to carry out electronic structure calculations scaling almost linearly with the number of electrons. However, the main impediment in the application of this method is the unavailability of the accurate form for the non-interacting kinetic energy functional in terms of electron density. The Pauli kinetic energy functional is the unknown part of the kinetic energy functional, and the corresponding Pauli potential appears in the governing Euler equation.
View Article and Find Full Text PDFLiquid flows induced in a rotating drum with different fill ratios.
Sci Rep
January 2025
Department of Mechanical Engineering, Seoul National University, Seoul, 08826, Korea.
In the present study, we experimentally investigate the liquid flow induced in a rotating drum (cylindrical tank with a short aspect ratio) aligned horizontally, focusing on the variation in the time-averaged and fluctuating flow structures with different fill ratios. For each fill ratio, controlled by varying the water height, we measure the velocity fields at different cross-sectional planes with particle image velocimetry while varying the rotational speed of the drum. Compared to the condition of a fill ratio of 1.
View Article and Find Full Text PDFLong-Term Postoperative Donor Site Musculoskeletal Morbidity after Osseous Free Flap Harvest.
OTO Open
January 2025
Department of Otolaryngology-Head and Neck Surgery, Winship Cancer Institute Emory University Atlanta Georgia USA.
Objective: Complex ablative maxillary and mandibular defects often require osseous free flap reconstruction. Workhorse options include the fibula, scapula, and osteocutaneous radial forearm flap (OCRFF). The choice of donor site for harvest should be driven not only by reconstructive goals but also by donor site morbidity.
View Article and Find Full Text PDFAcute Atraumatic Thumb Pain.
J Orthop Case Rep
January 2025
Department of Orthopaedics, Royal Free Hospital, University College London Royal Free Hospital, London, England.
Introduction: Painter first described painful periarticular soft-tissue calcium deposits in 1907. Further research has led to a variety of nomenclature, including calcareous tendinitis, pseudopodagra, and rheumatism. This report details the journey of a patient with acute calcific periarthritis (ACP) and explores issues concerning diagnosis, management, and provides possible preventative strategies.
View Article and Find Full Text PDFPurpose: To develop a rapid, high-resolution and distortion-free quantitative $R_{2}^{*}$ mapping technique for fetal brain at 3 T.
Methods: A 2D multi-echo radial FLASH sequence with blip gradients is adapted for fetal brain data acquisition during maternal free breathing at 3 T. A calibrationless model-based reconstruction with sparsity constraints is developed to jointly estimate water, fat, $R_{2}^{*}$ and $B_{0}$ field maps directly from the acquired k-space data.
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