It is possible to evaluate the shape change and strain energy when external forces are applied to nanomaterials.
Carbon nanotubes are lightweight nanomaterials with high strength and flexibility, and their excellent properties are expected to lead to applications in various fields. On the other hand, changes in physical properties associated with shape changes are also known, and evaluations of deformation and strain in response to external forces are required. This document introduces a case study of bending deformation simulations of single-walled carbon nanotubes using molecular dynamics calculations. By conducting simulations, it is possible to observe shape changes at the atomic level, which are difficult to evaluate from actual measurements, and to calculate strain energy.
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Measurement Method: Computational Science, AI, Data Analysis Product Areas: Fuel Cells, Displays, LSI/Memory, Others Analysis Objectives: Shape Evaluation, Stress/Strain Evaluation
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