A Unified Framework for Strain Analysis in Pentatwinned Nanoparticles
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Pentatwinned nanoparticles, strained by a 7.35° wedge deficit caused by a fivefold symmetry constraint, have drawn interest for applications in nanomechanics and catalysis. Homogeneous deformation theory and disclination theory have traditionally been applied separately to explain this misfit. In this work, we develop a unified framework combining both theories to analyze the strain distribution within simulated and synthesized pentatwinned nanoparticles. Our approach quantifies the average contribution of gap closure from different strain components and reveals that local strain profiles deviate from purely homogeneous or inhomogeneous models, instead exhibiting hybrid characteristics. Additionally, we investigate how strain distribution varies with different vertex truncations of the nanoparticles. This study provides new insights into the spatial distribution of strain components and opens new avenues for strain engineering in the design of pentatwinned nanoparticles