A density functional approach to characterize anisotropic hyperelastic behavior of organic crystals: Case study of nylon-6,6
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- 作者：H. Farahmand ; A.R. Setoodeh ; asetood@yahoo.com" class="auth_mail" title="E-mail the corresponding author ; setoodeh@sutech.ac.ir" class="auth_mail" title="E-mail the corresponding author
- 关键词：Hyperelastic model ; Anisotropic ; Dispersion-corrected density functional theory ; Organic materials ; α crystalline nylon-6 ; 6
- 刊名：Computational Materials Science
- 出版年：2016
- 出版时间：November 2016
- 年：2016
- 卷：124
- 期：Complete
- 页码：390-397
- 全文大小：652 K
文摘
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A hyperelastic anisotropic model in conjunction with DFT-D technique is developed.
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A bridge between quantum and classical mechanics models is explored.
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Transition between the linear and nonlinear elastic regimes for α crystalline nylon-6,6 is determined.
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The hyperelastic anisotropic model predicts the nonlinear behavior of md5=47d9ae9419202165a64e3fea95399e80" title="Click to view the MathML source">α crystalline nylon-6,6.
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The validated hyperelastic anisotropic model can be extended to organic crystal materials.