DFT Study on Non-reversible Expansion of TATB Crystal

• Autorzy: Chaoyang Z. , Yuanjie Shu , Xiaodong Z. , Haishan D.
• Języki publikacji: EN

Abstrakty

EN

By using DFT method, changing the six parameters of TATB cell and calculating the total energy corresponding to different volume ratio, this paper concludes that TATB crystal can only extend irreversibly along the c-axis when heated because the point of experiment is unstable thermodynamically and the ratio of non-reversible expansion must be about 2.6-3.7 per cent theoretically.

Słowa kluczowe

EN

TATB crystal; non-reversible expansion; DFT

• Wydawca: Sieć Badawcza Łukasiewicz - Instytut Przemysłu Organicznego
• Czasopismo: Central European Journal of Energetic Materials
• Rocznik: 2004
• Tom: Vol. 1, nr 1
• Strony: 43--49
• Opis fizyczny: Bibliogr. 13 poz.

Twórcy

autor

Chaoyang Z.

• Institute of Chemical Materials, China Academy of Engineering Physics Mianyang Sichuan P. R. China 621900

autor

Yuanjie Shu

• Institute of Chemical Materials, China Academy of Engineering Physics Mianyang Sichuan P. R. China 621900

autor

Xiaodong Z.

• Institute of Chemical Materials, China Academy of Engineering Physics Mianyang Sichuan P. R. China 621900

autor

Haishan D.

• Institute of Chemical Materials, China Academy of Engineering Physics Mianyang Sichuan P. R. China 621900

Bibliografia

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