The sections of pipe bends are hot spots for wall thinning due to accelerated corrosion by fluid flow. Conventionally, the thickness of a bend wall is evaluated by local point-by-point ultrasonic measurement, which is slow and costly. Guided wave tomography is an attractive method that enables the monitoring of a whole bend area by processing the waves excited and received by transducer arrays. The main challenge associated with the tomography of the bend is the development of an appropriate forward model, which should simply and efficiently handle the wave propagation in a complex bend model. In this study, we developed a two-dimensional (2D) acoustic forward model to replace the complex three-dimensional (3D) bend domain with a rectangular domain that is made artificially anisotropic by using Thomsen parameters. Thomsen parameters allow the consideration of the directional dependence of the velocity of the wave in the model. Good agreement was found between predictions and experiments performed on a 220 mm diameter (d) pipe with 1.5d bend radius, including the wave-field focusing effect and the steering effect of scattered wave-fields from defects.
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http://dx.doi.org/10.3390/s22020486 | DOI Listing |
J Chem Inf Model
January 2025
Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences, Gilead Sciences & IOCB Research Centre, Flemingovo nám. 2, 166 10 Prague, Czech Republic.
The use of quantum mechanical potentials in protein-ligand affinity prediction is becoming increasingly feasible with growing computational power. To move forward, validation of such potentials on real-world challenges is necessary. To this end, we have collated an extensive set of over a thousand galectin inhibitors with known affinities and docked them into galectin-3.
View Article and Find Full Text PDFNat Nanotechnol
January 2025
Wallace H. Coulter Department of Biomedical Engineering, Georgia Tech College of Engineering and Emory School of Medicine, Atlanta, GA, USA.
The forward design of biosensors that implement Boolean logic to improve detection precision primarily relies on programming genetic components to control transcriptional responses. However, cell- and gene-free nanomaterials programmed with logical functions may present lower barriers for clinical translation. Here we report the design of activity-based nanosensors that implement AND-gate logic without genetic parts via bi-labile cyclic peptides.
View Article and Find Full Text PDFNat Commun
January 2025
Department of Chemistry, Theoretical Chemistry Institute, University of Wisconsin-Madison, Madison, WI, 53706, USA.
Identifying transitional states is crucial for understanding protein conformational changes that underlie numerous biological processes. Markov state models (MSMs), built from Molecular Dynamics (MD) simulations, capture these dynamics through transitions among metastable conformational states, and have demonstrated success in studying protein conformational changes. However, MSMs face challenges in identifying transition states, as they partition MD conformations into discrete metastable states (or free energy minima), lacking description of transition states located at the free energy barriers.
View Article and Find Full Text PDFChemosphere
January 2025
Department of Civil Engineering, Indian Institute of Technology Delhi, New Delhi, Delhi, India, 110016. Electronic address:
The establishment of site-specific target limits (SSTLs) for old municipal solid waste (MSW) dumpsites is essential for defining remediation goals in a scientifically rigorous manner. However, a standardized framework for achieving this is currently lacking. This study proposes a comprehensive framework that integrates high-resolution site characterization (HRSC) tools, targeted sampling, and contaminant transport modeling to derive SSTLs.
View Article and Find Full Text PDFNeuroimage
January 2025
Dept. of Electrical and Computer Engineering, Worcester Polytechnic Institute, Worcester, MA, USA.
A fast BEM (boundary element method) based approach is developed to solve an EEG/MEG forward problem for a modern high-resolution head model. The method utilizes a charge-based BEM accelerated by the fast multipole method (BEM-FMM) with an adaptive mesh pre-refinement method (called b-refinement) close to the singular dipole source(s). No costly matrix-filling or direct solution steps typical for the standard BEM are required; the method generates on-skin voltages as well as MEG magnetic fields for high-resolution head models within 90 seconds after initial model assembly using a regular workstation.
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