کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1814242 | 1025646 | 2008 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Comparative investigations of the P-V-T relationship of NaCl at high pressure and temperature
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
فیزیک و نجوم
فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Comparative investigations of the P-V-T relationship of NaCl at high pressure and temperature Comparative investigations of the P-V-T relationship of NaCl at high pressure and temperature](/preview/png/1814242.png)
چکیده انگلیسی
Two different potential models of molecular dynamics (MD) simulations have been applied to investigate the pressure-volume-temperature (P-V-T) relationship and lattice parameter of NaCl under high pressure and temperature. The first one is the shell model (SM) potentials in which due to the short-range interaction pairs of ions are moved together as is the case in polarization of a crystal due to the motion of the positive and negative ions, and the second one is the two-body rigid-ion Born-Mayer-Huggins-Fumi-Tosi (BMHFT) potentials with full treatment of long-range Coulomb forces. The P-V relationship at 300Â K, T-V relationship at zero pressure, and lattice parameter a, have been obtained and compared with the available experimental data and other theoretical results. Compared with SM potentials, the MD simulation with BMHFT potentials is very successful in reproducing accurately the measured volumes of NaCl. At an extended pressure and temperature ranges, P-V relationship under different isotherms at selected temperatures, T-V relationship under different pressures, and lattice parameter a have also been predicted. The properties of NaCl are summarized in the pressure range 0-30Â GPa and the temperature up to 2000Â K.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica B: Condensed Matter - Volume 403, Issue 18, 1 September 2008, Pages 3255-3260
Journal: Physica B: Condensed Matter - Volume 403, Issue 18, 1 September 2008, Pages 3255-3260
نویسندگان
X.W. Sun, X.G. Wang, T. Song, Y.H. Li, Y.X. Liu, Q.F. Chen,