Energetic ions have been widely used to evaluate the irradiation tolerance of structural materials for nuclear power applications and to modify material properties. It is important to understand the defect production, annihilation and migration mechanisms during and after collision cascades. In this study, single crystalline pure nickel metal and single-phase concentrated solid solution alloys of 50%Ni50%Co (NiCo) and 50%Ni50%Fe (NiFe) without apparent preexisting defect sinks were employed to study defect dynamics under ion irradiation. Both cross-sectional transmission electron microscopy characterization (TEM) and Rutherford backscattering spectrometry channeling (RBS-C) spectra show that the range of radiation-induced defect clusters far exceed the theoretically predicted depth in all materials after high-dose irradiation. Defects in nickel migrate faster than in NiCo and NiFe. Both vacancy-type stacking fault tetrahedra (SFT) and interstitial loops coexist in the same region, which is consistent with molecular dynamics simulations. Kinetic activation relaxation technique (k-ART) simulations for nickel showed that small vacancy clusters, such as di-vacancies and tri-vacancies, created by collision cascades are highly mobile, even at room temperature. The slower migration of defects in the alloy along with more localized energy dissipation of the displacement cascade may lead to enhanced radiation tolerance.
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http://dx.doi.org/10.1038/srep19994 | DOI Listing |
J Mol Model
January 2025
Department of Mechanical Engineering, National Kaohsiung University of Science and Technology, Kaohsiung, 807, Taiwan.
Context: To address the severe fuel crisis and environmental pollution, the use of lightweight metal materials, such as AZ alloy, represents an optimal solution. This study investigates the mechanical behavior and deformation mechanism of AZ alloys under uniaxial compressive using molecular dynamics (MD) simulations. The influence of various compositions, grain sizes (GSs), and temperatures on the compressive stress, the ultimate compressive strength (UCS), compressive yield stress (CYS), Young's modulus (E), shear strain, phase transformation, dislocation distribution, and total deformation length is thoroughly examined.
View Article and Find Full Text PDFNat Mater
January 2025
School of Chemistry, Beihang University, Beijing, China.
The rational design of non-fullerene acceptors (NFAs) with both high crystallinity and photoluminescence quantum yield (PLQY) is of crucial importance for achieving high-efficiency and low-energy-loss organic solar cells (OSCs). However, increasing the crystallinity of an NFA tends to decrease its PLQY, which results in a high non-radiative energy loss in OSCs. Here we demonstrate that the crystallinity and PLQY of NFAs can be fine-tuned by asymmetrically adapting the branching position of alkyl chains on the thiophene unit of the L8-BO acceptor.
View Article and Find Full Text PDFNat Commun
January 2025
School of Chemical and Biological Engineering, Institute of Chemical Processes, Seoul National University, Seoul, Republic of Korea.
Colloidal nanocrystals inherently undergo structural changes during chemical reactions. The robust structure-property relationships, originating from their nanoscale dimensions, underscore the significance of comprehending the dynamic structural behavior of nanocrystals in reactive chemical media. Moreover, the complexity and heterogeneity inherent in their atomic structures require tracking of structural transitions in individual nanocrystals at three-dimensional (3D) atomic resolution.
View Article and Find Full Text PDFNanotechnology
January 2025
Electronic Sci.&Eng., Xi'an Jiaotong University, 28 Xianning West Road,Beilin District, Xi 'an, Shaanxi Province, China, Xi'an, 710049, CHINA.
The accurate estimation of the temperature distribution of the GaN based power devices and optimization of the device structure is of great significance to possibly solve the self-heating problem, which hinders the further enhancement of the device performances. We present here the operando temperature measurement with high spatial resolution using Raman spectroscopy of AlGaN/GaN high electron mobility transistors (HEMTs) with different device structures and explore the optimization of the device thermal design accordingly. The lateral and depth temperature distributions of the single-finger HEMT were characterized.
View Article and Find Full Text PDFACS Nano
January 2025
Battery and Electrochemistry Laboratory (BELLA), Institute of Nanotechnology, Karlsruhe Institute of Technology (KIT), Kaiserstr. 12, Karlsruhe 76131, Germany.
Improving interfacial stability between cathode active material (CAM) and solid electrolyte (SE) is vital for developing high-performance all-solid-state batteries (ASSBs), with compatibility issues among the cell components representing a major challenge. CAM surface coating with a chemically inert ion conductor is a promising approach to suppress side reactions occurring at the cathode interfaces. Another strategy to mitigate mechanical degradation involves utilizing single-crystalline particle morphologies.
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