Pressure and temperature effects on the Γ and N-phonons in zirconium

被引：4
|
作者：
Ostanin, SA
Salamatov, EI
Ostanin, SA
机构：
[1] GEMME, IPCMS, F-67037 Strasbourg, France
[2] Russian Acad Sci, Ural Branch, Physicotech Inst, Izhevsk 426001, Russia
来源：
COMPUTATIONAL MATERIALS SCIENCE | 2000年 / 17卷 / 2-4期
关键词：
Zr; phonon frequencies; phase transition;
D O I：
10.1016/S0927-0256(00)00053-7
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The effective potentials for the E-2g-phonon at the Gamma point of the Brillouin zone of hcp Zr and the transverse N phonon of bcc Zr are calculated for different pressures by the frozen-phonon method. The temperature and pressure dependences of the phonon frequencies are studied within the framework of a modified pseudo-harmonic approximation. The results obtained are in good agreement with the experimental ones. The change observed in the behavior of frequencies with increasing temperature and pressure may be attributed to the peculiarities of the phase diagram of zirconium. (C) 2000 Elsevier Science B.V. All rights reserved.
引用
收藏
页码：361 / 364
页数：4
相关论文
共 50 条
  • [1] Stability of Zirconium Carbide under High Pressure and High Temperature
    Tan, Lijie
    Zeng, Zhidan
    Lou, Hongbo
    Zhang, Fei
    Chen, Xiehang
    Chen, Songyi
    Xuan, Yuanyuan
    Peng, Fang
    Zeng, Qiaoshi
    JOURNAL OF PHYSICAL CHEMISTRY C, 2019, 123 (15): : 10051 - 10056
  • [2] INVESTIGATION OF ISOTOPIC EFFECTS IN DEBYE TEMPERATURE AND EXAFS CUMULANTS OF ZIRCONIUM
    Tam, Nguyen trong
    Hieu, Ho khac
    Hong, Nguyen thi
    ROMANIAN JOURNAL OF PHYSICS, 2025, 70 (1-2):
  • [3] Temperature and hydrogen partial pressure dependence of zirconium hydride surface structures and stabilities
    Gong, Yuxiang
    Wu, Huajian
    Lu, Sheng
    Shen, Chunlei
    Zhou, Xiaosong
    Long, Xinggui
    Wang, Yiren
    Jiang, Yong
    INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2023, 48 (71) : 27737 - 27747
  • [4] N-body potential for simulation of α and β phases of zirconium
    Vyazmin, A. V.
    Lipnitskii, A. G.
    Kartamyshev, A. I.
    Maksimenko, V. N.
    Poletaev, D. O.
    COMPUTATIONAL MATERIALS SCIENCE, 2024, 235
  • [5] Molecular dynamics simulations of the coupled effects of strain and temperature on displacement cascades in α-zirconium
    Sahi, Qurat-ul-ain
    Kim, Yong-Soo
    NUCLEAR ENGINEERING AND TECHNOLOGY, 2018, 50 (06) : 907 - 914
  • [6] Orientation Relations During the α-ω Phase Transition of Zirconium: In Situ Texture Observations at High Pressure and Temperature
    Wenk, H. -R.
    Kaercher, P.
    Kanitpanyacharoen, W.
    Zepeda-Alarcon, E.
    Wang, Y.
    PHYSICAL REVIEW LETTERS, 2013, 111 (19)
  • [7] Understanding the fretting corrosion mechanism of zirconium alloy exposed to high temperature high pressure water
    Guo, Xianglong
    Lu, Junqiang
    Lai, Ping
    Shen, Zhao
    Zhuang, Wenhua
    Han, Zhongli
    Zhang, Lefu
    Lozano-Perez, Sergio
    CORROSION SCIENCE, 2022, 202
  • [8] Revisiting the High-Pressure Behaviors of Zirconium: Nonhydrostaticity Promoting the Phase Transitions and Absence of the Isostructural Phase Transition in β-Zirconium
    Liu, Lei
    Jing, Qiumin
    Geng, Hua Y.
    Li, Yinghua
    Zhang, Yi
    Li, Jun
    Li, Shourui
    Chen, Xiaohui
    Gao, Junjie
    Wu, Qiang
    MATERIALS, 2023, 16 (14)
  • [9] First-principles investigations on elastic and thermodynamic properties of zirconium under pressure
    Zhang, Suhong
    Zhang, Xinyu
    Zhu, Yan
    Zhang, Shiliang
    Qi, Li
    Liu, Riping
    COMPUTATIONAL MATERIALS SCIENCE, 2012, 61 : 42 - 49
  • [10] Shear-driven instability in zirconium at high pressure and temperature and its relationship to phase-boundary behaviors
    Jacobsen, M. K.
    Velisavljevic, N.
    Kono, Y.
    Park, C.
    Kenney-Benson, C.
    PHYSICAL REVIEW B, 2017, 95 (13)
12345