相关论文: Carbon dioxide in silicate melts: A molecular dyna…
Understanding the formation of molecules under conditions relevant to interstellar chemistry is fundamental to characterize the chemical evolution of the universe. Using reactive molecular dynamics simulations with model-based or…
We implement a standard Monte Carlo algorithm to study the slow, equilibrium dynamics of a silica melt in a wide temperature regime, from 6100 K down to 2750 K. We find that the average dynamical behaviour of the system is in quantitative…
High obliquity planets represent potentially extreme limits of terrestrial climate, as they exhibit large seasonality, a reversed annual-mean pole-to-equator gradient of stellar heating, and novel cryospheres. A suite of 3-D global climate…
Collisions of ice particles play an important role in the formation of planetesimals and comets. In recent work we showed, that CO$_2$ ice behaves like silicates in collisions. The resulting assumption was that it should therefore stick…
Recent observations show activity in long-period comet C/2017 K2 at heliocentric distances beyond the orbit of Uranus. With this as motivation, we constructed a simple model that takes a detailed account of gas transport modes and simulates…
Carbon dioxide (CO2) injection into saline aquifers is one method of mitigating anthropogenic climate change. To ensure secure storage of this CO2, it is important to understand the interaction of CO2 injection and migration with geological…
We explore the evolution of sub-Neptune (radii between $\sim$1.5 and 4 R$_\oplus$) exoplanet interior structures using our upgraded evolution code, \texttt{APPLE}, which self-consistently couples the thermal and compositional evolution of…
CO$_2$ sequestration in subsurface reservoirs is important for limiting atmospheric CO$_2$ concentrations. However, a complete physical picture able to predict the structure developing within the porous medium is lacking. We investigate…
In this work we study the diffusion mechanisms in lithium disilicate melt using molecular dynamics simulation, which has an edge over other simulation methods because it can track down actual atomic rearrangements in materials once a…
In the present paper we perfomrm molecular dynamics simulation of liquid carbon with a machine-learning potential GAP-20. We show that within the framework of this model carbon demonstrates a relatively low critical temperature, which can…
Different from Milky-Way-like galaxies, discs of gas-rich galaxies are clumpy. It is believed that the clumps form because of gravitational instability. However, a necessary condition for gravitational instability to develop is that the…
Aqueous solutions of LiCl are probably the most studied electrolyte solutions related to the complexity of liquid water at low temperatures. Despite the large amount of available experimental data hardly any computational studies were…
We study conditions under which carbon clusters of different sizes form and stabilize. {We describe an approach to equilibrium by simulating tenuous carbon gas dynamics to long times.} First, we use reactive molecular dynamics simulations…
Explaining the evidence for surface liquid water on early Mars has been a challenge for climate modelers, as the sun was ~30% less luminous during the late-Noachian. We propose that the additional greenhouse forcing of CO2-H2…
Sonoluminescence is the phenomena of light emission from a collapsing gas bubble in a liquid. Theoretical explanations of this extreme energy focusing are controversial and difficult to validate experimentally. We propose to use molecular…
Kuiper belt objects, such as Arrokoth, the probable progenitors of short-period comets, formed and evolved at large heliocentric distances, where the ambient temperatures appear to be sufficiently low for preserving volatile ices. By…
Context. Carbon monoxide (CO) is arguably the most important molecule for interstellar organic chemistry. Its binding to amorphous solid water (ASW) ice regulates both diffusion and desorption processes. Accurately characterizing the CO…
Ion hydrations are ubiquitous in natural and fundamental processes. A quantitative analysis of a novel CO2 sorbent driven by ion hydrations was presented by molecular dynamics (MD). We explored the humidity effect on the diffusion and…
The evolution and structure of sub-Neptunes may be strongly influenced by interactions between the outer gaseous envelope of the planet and a surface magma ocean. However, given the wide variety of permissible interior structures of these…
Silicon, despite its abundance and high energy density, remains underexplored as a carbon-free fuel, with limited data available on its combustion characteristics. In this work, the combustion behaviour of silicon particles is examined…