کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5413556 | 1393487 | 2007 | 7 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Molecular dynamics study of a simple liquid at negative pressures
دانلود مقاله + سفارش ترجمه
دانلود مقاله ISI انگلیسی
رایگان برای ایرانیان
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Molecular dynamics study of a simple liquid at negative pressures Molecular dynamics study of a simple liquid at negative pressures](/preview/png/5413556.png)
چکیده انگلیسی
We investigate the effect of isochoric cooling of the Lennard-Jones liquid at the triple point i.e. Ïâ = 1.20 r0, Tâ = 0.70 into the negative pressure region of crystal + vapor phase with temperatures varying from Tâ = 1.00 to 0.0001. Along this line, initially, the liquid remains stable with respect to its crystallization, and is metastable with respect to liquid-vapor nucleation. The objective is to determine the limits of metastability extrapolated to sub-triple point temperatures along the line of crystal-liquid coexistence, and to explore the mechanism of return to thermodynamic equilibrium, i.e. crystal + vapor stability. It is found that a transient unstable phase is encountered at the reduced temperature Tâ = 0.3250 for a N = 4000 atom system, and Tâ = 0.45 for N = 32,000. The results indicate that Tâ = 0.35 and Tâ = 0.50 are the spinodal limits for simple liquids at the triple point density Ïâ = 1.2 for both systems respectively. The pressure line changes its slope from negative to positive as the new phase i.e. crystal + hole (vapor) begins to form. The transformation mechanism from supercooled liquid to crystal + vapor is two-stage; first “metastable liquid” at negative pressure to “liquid + hole” at zero pressure, then from “liquid + hole” to “crystal + hole”.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Liquids - Volume 136, Issue 3, 15 December 2007, Pages 281-287
Journal: Journal of Molecular Liquids - Volume 136, Issue 3, 15 December 2007, Pages 281-287
نویسندگان
Huey Ling Tan, Leslie V. Woodcock,