We investigate the structural phases of single poly(3-hexylthiophene) (P3HT) polymers that are adsorbed on a two-dimensional substrate with a striped pattern. We use a coarse-grained representation of the polymer and sophisticated Monte Carlo techniques such as a parallelized replica exchange scheme and local as well as non-local updates to the polymer's configuration. From peaks in the canonically derived observables, it is possible to obtain structural phase diagrams for varying substrate parameters. We find that the shape of the stripe pattern has a substantial effect on the obtained configurations of the polymer and can be tailored to promote either more stretched out or more compact configurations. In the compact phases, we observe different structural motifs, such as hairpins, double-hairpins, and interlocking "zipper" states.
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http://dx.doi.org/10.1063/1.5046383 | DOI Listing |
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January 2025
State Key Laboratory of Materials for Integrated Circuits, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai, 200050, China.
The behavior of vicinal Si(001) surfaces are a subject of intense research for years, yet the mechanism behind its step modulation remains unresolved. Step B, in particular, can meander randomly or form a periodic zigzag profile, a surface phenomenon that has eluded explanation due to the lack of appropriate simulation tools. Here, a multiscale simulation strategy, enhanced by machine learning potentials are proposed, to investigate this mesoscale behavior.
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December 2024
Department of Signal Processing and Multimedia Engineering, West Pomeranian University of Technology in Szczecin, al. Piastow 17, 70-310 Szczecin, Poland.
The safety of the airspace could be improved by the use of visual methods for the detection and tracking of aircraft. However, in the case of the small angular size of airplanes and the high noise level in the image, sufficient use of such methods might be difficult. By using the ConvNN (Convolutional Neural Network), it is possible to obtain a detector that performs the segmentation task for aircraft images that are very small and lost in the background noise.
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January 2025
Istituto Nazionale di Fisica Nucleare, Sezione di Bari, 70125 Bari, Italy.
Background: Boron neutron capture therapy (BNCT) is an innovative binary form of radiation therapy with high selectivity towards cancer tissue based on the neutron capture reaction B(n,α)Li, consisting in the exposition of patients to neutron beams after administration of a boron compound with preferential accumulation in cancer cells. The high linear energy transfer products of the ensuing reaction deposit their energy at the cell level, sparing normal tissue. Although progress in accelerator-based BNCT has led to renewed interest in this cancer treatment modality, in vivo dose monitoring during treatment still remains not feasible and several approaches are under investigation.
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December 2024
Faculty for Technology and Metallurgy, University of Belgrade, Karnegijeva 4, 11120 Belgrade, Serbia.
Chocolate is one of the most popular and widely consumed confectionery products. However, elevated cadmium (Cd) content in this commodity threatens food safety and human health. It is crucial to monitor the presence of Cd in chocolate and to evaluate its associated health risks.
View Article and Find Full Text PDFMaterials (Basel)
December 2024
Chongqing Key Laboratory of Interface Physics in Energy Conversion, College of Physics, Chongqing University, Chongqing 400044, China.
The electrodes of thin film transistors (TFTs) have evolved from conventional single Cu layers to multi-layered structures formed by Cu and other metals or alloys. Different etching rates of various metals and galvanic corrosion between distinct metals may cause etching defects such as rough or uneven cross-sectional surfaces of stacked electrodes. Therefore, the etching of stacked electrodes faces new challenges.
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