Cell model of hydrogen liquid at megabar pressures

Abstract

We present a new model for the quantum fluid resulting from the melting of crystal hydrogen at megabar pressures. This model is based on a cell approach that takes into account of localized electron states and the effect of proton degeneration. The predictions of our model are in good agreement with recent experimental results on the anomalies in the melting process.

Аномальная Сжимаемость И Металлизация Дейтерия И Водорода При Высоких Давлениях

“…The latter include the Ross model [6]. Also, we show the results of calculations in a cell approximation for the system of electrons and ions [9], and the results of the Monte-Carlo calculations [10] for the same system. These results confirm our conclusion on molecular deuterium metallization under compression.…”

“…Experimental results: black stars are results from [2], red stars are results from [5], triangles are results from [3], and diamonds are results from [4]. Theoretical predictions: solid line represents paper [6], solid circles represent cell model [9], and the open circles represent model [10].…”

Anomalous compressibility and metallization of deuterium and hydrogen at high pressures

“…The delocalization degree of the bound electron in the critical point is close to 1/3 while the compression de- [2], red stars are results from [5], triangles are results from [3], and diamonds are results from [4]. Theoretical predictions: solid line represents paper [6], solid circles represent cell model [9], and the open circles represent model [10].…”

First-principles derivation and properties of density-functional average-atom models

“…Thus, a better understanding of WDM can solve crucial problems at the intersection of several disciplines [2,3]. The most important application of WDM research is the modelling and design of processes in inertial confinement fusion [4][5][6][7][8][9]; additionally, WDM simulations enhance our understanding of the earth's inner core [10,11]; various astrophysical phenomena [12,13] (including properties of exoplanets [14,15], giant gas planets [16][17][18][19] and brown and white dwarfs [20,21]); and unexplored material properties such as novel chemistry [22,23], non-equilibrium effects [24,25], phase transitions [26] and mechanical properties of solids [27]. Furthermore, accurate theoretical modelling of WDM is important in processing and understanding data from large experimental facilities [3,[28][29][30][31][32].…”