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Volumn 65, Issue 3, 2004, Pages 400-406

Structure and stability of non-molecular nitrogen at ambient pressure

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Indexed keywords


EID: 0842346784     PISSN: 02955075     EISSN: None     Source Type: Journal    
DOI: 10.1209/epl/i2003-10087-1     Document Type: Article
Times cited : (23)

References (32)
  • 15
    • 4243299738 scopus 로고
    • BRENNER D. W., Phys. Rev. B, 42 (1990) 9458; 46 (1992) 1948.
    • (1992) Phys. Rev. B , vol.46 , pp. 1948
  • 22
    • 0001538909 scopus 로고
    • We also repeated all main stages of the phase transition simulations using Nose-Hoover temperature control (HOOVER W. G., Phys. Rev. A, 31 (1985) 1695) and Parrinnello-Rahman pressure control for orthogonal cells (PARRINELLO M. and RAHMAN A., Phys. Rev. Lett., 45 (1980) 1196) and consistently obtained the same qualitative and quantitative results as with the Berendsen method. We also monitored that the non-diagonal terms in the stress tensor fluctuated around zero, indicating that the system would not tend to be driven to a non-orthogonal crystal phase which our orthogonal control would have prevented.
    • (1985) Phys. Rev. A , vol.31 , pp. 1695
    • Hoover, W.G.1
  • 23
    • 26144434487 scopus 로고
    • We also repeated all main stages of the phase transition simulations using Nose-Hoover temperature control (HOOVER W. G., Phys. Rev. A, 31 (1985) 1695) and Parrinnello-Rahman pressure control for orthogonal cells (PARRINELLO M. and RAHMAN A., Phys. Rev. Lett., 45 (1980) 1196) and consistently obtained the same qualitative and quantitative results as with the Berendsen method. We also monitored that the non-diagonal terms in the stress tensor fluctuated around zero, indicating that the system would not tend to be driven to a non-orthogonal crystal phase which our orthogonal control would have prevented.
    • (1980) Phys. Rev. Lett. , vol.45 , pp. 1196
    • Parrinello, M.1    Rahman, A.2
  • 26
    • 0842294330 scopus 로고    scopus 로고
    • note
    • We can provide the atomic structures found in this work as a starting point for DFT calculations. The data is available by e-mail request from kai.nordlund@helsinki.fi.
  • 29
    • 0004262104 scopus 로고    scopus 로고
    • San Diego: Accelrys Inc.
    • Accelrys Inc., CASTEP Users Guide. San Diego: Accelrys Inc., 2001.
    • (2001) CASTEP Users Guide


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.