Liquid-liquid phase transition in compressed hydrogen from first-principles simulations.
نویسنده
چکیده
The properties of compressed liquid hydrogen, the most abundant fluid in the universe, have been investigated by means of first-principles molecular dynamics at pressures between 75 and 175 GPa and temperatures closer to the freezing line than so far reported in shock-wave experiments. Evidence for a liquid-liquid transition between a molecular and a dissociated phase is provided. The transition is accompanied by a 6% increase in density and by metallization. This finding has important implications for our understanding of the interiors of giant planets and supports predictions of a quantum fluid state at low temperatures.
منابع مشابه
Structure and phase boundaries of compressed liquid hydrogen.
We have mapped the molecular-atomic transition in liquid hydrogen using first principles molecular dynamics. We predict that a molecular phase with short-range orientational order exists at pressures above 100 GPa. The presence of this ordering and the structure emerging near the dissociation transition provide an explanation for the sharpness of the molecular-atomic crossover and the concurren...
متن کاملLiquid-liquid transition in supercooled silicon determined by first-principles simulation.
First-principles molecular dynamics simulations reveal a liquid-liquid phase transition in supercooled elemental silicon. Two phases coexist below Tc approximately 1232 K and above pc approximately -12 kB. The low-density phase is nearly tetracoordinated, with a pseudogap at the Fermi surface, while the high-density phase is more highly coordinated and metallic in nature. The transition is obse...
متن کاملQuantum Monte Carlo simulation of the high-pressure molecular-atomic crossover in fluid hydrogen.
A first-order liquid-liquid phase transition in high-pressure hydrogen between molecular and atomic fluid phases has been predicted in computer simulations using ab initio molecular dynamics approaches. However, experiments indicate that molecular dissociation may occur through a continuous crossover rather than a first-order transition. Here we study the nature of molecular dissociation in flu...
متن کاملLiquid polyamorphism: Possible relation to the anomalous behaviour of water
We present evidence from experiments and computer simulations supporting the hypothesis that water displays polyamorphism, i.e., water separates into two distinct liquid phases. This concept of a new liquid-liquid phase transition is finding application to other liquids as well as water, such as silicon and silica. Specifically, we investigate, the relation between changes in dynamic and thermo...
متن کاملLiquid Polyamorphism: Some Unsolved Puzzles of Water in Bulk, Nanoconfined, and Biological Environments
We investigate the relation between changes in dynamic and thermodynamic anomalies arising from the presence of the liquid-liquid critical point in (i) Two models of water, TIP5P and ST2, which display a first order liquid-liquid phase transition at low temperatures; (ii) the Jagla model, a spherically symmetric two-scale potential known to possess a liquid-liquid critical point, in which the c...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید
ثبت ناماگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید
ورودعنوان ژورنال:
- Proceedings of the National Academy of Sciences of the United States of America
دوره 100 6 شماره
صفحات -
تاریخ انتشار 2003