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http://dx.doi.org/10.1103/physreve.49.1375 | DOI Listing |
J Am Chem Soc
January 2025
Department of Chemistry, University of Southern California, Los Angeles, California 90089, United States.
The polycrystalline nature of perovskites, stemming from their facile solution-based fabrication, leads to a high density of grain boundaries (GBs) and point defects. However, the impact of GBs on perovskite performance remains uncertain, with contradictory statements found in the literature. We developed a machine learning force field, sampled GB structures on a nanosecond time scale, and performed nonadiabatic (NA) molecular dynamics simulations of charge carrier trapping and recombination in stoichiometric and doped GBs.
View Article and Find Full Text PDFMaterials (Basel)
January 2025
Smart Forming Process Group, Korea Institute of Industrial Technology, Ulsan 44776, Republic of Korea.
For allowable defect analyses, the fracture toughness of materials needs to be accurately predicted. In this regard, a lower fluctuation of fracture toughness can lead to reduction in safety and economic risks. Crack tip opening displacement (CTOD), which is the representative parameter for fracture toughness, can be measured by various methods, such as the δ5, the J-conversion method, the single clip gauge method, and the double clip gauge method.
View Article and Find Full Text PDFSci Rep
January 2025
International Institute for Integrative Sleep Medicine (WPI-IIIS), University of Tsukuba, Tsukuba, Ibaraki, 305- 8575, Japan.
We explore an innovative approach to sleep stage analysis by incorporating complexity features into sleep scoring methods for mice. Traditional sleep scoring relies on the power spectral features of electroencephalogram (EEG) and the electromyogram (EMG) amplitude. We introduced a novel methodology for sleep stage classification based on two types of complexity analysis, namely multiscale entropy and detrended fluctuation analysis.
View Article and Find Full Text PDFNanomaterials (Basel)
January 2025
Institute of High Pressure Physics, Polish Academy of Sciences, Sokolowska 29/37, 01-142 Warsaw, Poland.
In situ X-ray reciprocal space mapping was performed during the interval heating and cooling of InGaN/GaN quantum wells (QWs) grown via metal-organic vapor phase epitaxy (MOVPE). Our detailed in situ X-ray analysis enabled us to track changes in the peak intensities and radial and angular broadenings of the reflection. By simulating the radial diffraction profiles recorded during the thermal cycle treatment, we demonstrate the presence of indium concentration distributions (ICDs) in the different QWs of the heterostructure (1.
View Article and Find Full Text PDFSoft Matter
January 2025
Department of Physics, Government College of Engineering and Textile Technology, 12 William Carey Road, Serampore, Hooghly-712201, India.
The theoretical study of instabilities, thermal fluctuations, and topological defects in the crystal-rotator-I-rotator-II (X-R-R) phase transitions of -alkanes has been conducted. First, we examine the nature of the R-R phase transition in nanoconfined alkanes. We propose that under confined conditions, the presence of quenched random orientational disorder makes the R phase unstable.
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