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[Analysis Case] Mechanical Property Evaluation Simulation Using Molecular Dynamics Calculations

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[Analysis Case] Mechanical Property Evaluation Simulation Using Molecular Dynamics Calculations

img_C0728_1.jpg
img_C0728_1.jpg img_C0728_2.jpg

It is possible to analyze the deformation behavior of nanomaterials in response to environmental changes (pressure and temperature).

Carbon nanotubes (CNTs) are lightweight and possess excellent mechanical properties (high strength and high elasticity), making them suitable for various applications and environments. In particular, the deformation behavior of CNTs is related to flexibility and energy absorption characteristics, which are important in sensor and nano-device design. This document presents a case study that simulates the bending and recovery deformation of single-walled CNTs using molecular dynamics calculations. The simulation allows for the observation of structural changes at the atomic level due to environmental changes (pressure and temperature), enabling the analysis of deformation behavior based on the changes in strain energy associated with these structural changes.

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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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Analysis of fuel cells, displays, and LSI/memory.

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[Analysis Case] Mechanical Property Evaluation Simulation of Carbon Nanotubes (CNT) by Molecular Dynamics Calculation_C0728

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