Molecular Dynamics Analysis of Negative Poisson Ratios over the α-β Transition in Cristobalite, SiO_2

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概要

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• Cristobalite, a low-density polymorph of silicon dioxide (SiO_2), shows an unusual elastic behavior of negative Poisson ratio, contracting laterally when compressed and expanding laterally when stretched. We have successfully evaluated the adiabatic second-order elastic stiffness constants in the temperature range of 300-1, 800 K, including a displacive phase transition region, with the equilibrium molecular dynamics method using the statistical fluctuation formula. We have found that the cristobalite exhibits a negative Poisson ratio over this temperature range, however, with different mechanisms between low-temperature (α) and high-temperature (β) phases.

• 理論物理学刊行会の論文
• 2000-04-28

著者

• SHIMIZU Futoshi

  Center for Computational Science & e-Systems, Japan Atomic Energy Agency

• Shimizu Futoshi

  Center For Promotion Of Computational Science And Engineering Japan Atomic Energy Research Institute

• Kaburaki Hideo

  Center For Computational Science & E-systems Japan Atomic Energy Agency

• Kaburaki Hideo

  Center For Computational Science And E-systems (ccse) Japan Atomic Energy Agency (jaea)

• Kaburaki H

  Center For Promotion Of Computational Science And Engineering Japan Atomic Energy Research Institute

• KOGURE Yoshiaki

  Faculty of Science,Tokyo Institute of Technology

• KIMIZUKA Hajime

  Center for Promotion of Computational Science and Engineering, Japan Atomic Energy Research Institut

• KOGURE Yoshiaki

  Teikyo University of Science E Technology

• Kimizuka Hajime

  Center For Promotion Of Computational Science And Engineering Japan Atomic Energy Research Institute

• Kogure Yoshiaki

  Faculty Of Science And Engineering Teikyo University Of Science & Technology

• Kaburaki Hideo

  Center For Computational Sci. & E-systems Japan Atomic Energy Agency

• SHIMIZU Futoshi

  Center for Promotion of Computational Science and Engineering, Japan Atomic Energy Research Institute

• KOGURE Yoshiaki

  Faculty of Science and Engineering, Teikyo University of Science & Technology

• KIMIZUKA Hajime

  Center for Promotion of Computational Science and Engineering, Japan Atomic Energy Research Institute

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