Related papers: In Silico Seawater
For a dense and strongly interacting system, such as a nucleus or a strongly-coupled quark-gluon plasma, the foundation of hydrodynamics can be better found in the quantum description of constituents moving in the strong mean fields…
The hydrogen-bond (H-bond) network of high-pressure water is investigated by neural-network-based molecular dynamics (MD) simulations with the first-principles accuracy. The static structure factors (SSFs) of water at three densities, i.e.,…
The distribution of liquid water in ice-free clouds determines their radiative properties, a significant source of uncertainty in weather and climate models. Evaporation and turbulent mixing cause a cloud to display large variations in…
Starting from basic physical principles, we present a novel derivation linking the global wind power to measurable atmospheric parameters. The resulting expression distinguishes three components of the atmospheric power (the kinetic power…
The diffusivity of water in aqueous cesium iodide solutions is larger than that in neat liquid water, and vice versa for sodium chloride solutions. Such peculiar ion-specific behavior, called anomalous diffusion, is not reproduced in…
Understanding the structure and thermodynamics of solvated ions is essential for advancing applications in electrochemistry, water treatment, and energy storage. While ab initio molecular dynamics methods are highly accurate, they are…
The presence of salt in ocean water strongly affects the melt rate and the shape evolution of ice, both of utmost relevance in geophysical and ocean flow and thus for the climate. To get a better quantitative understanding of the physical…
We investigate the structural properties of liquid water at near ambient conditions using first-principles molecular dynamics simulations based on a semilocal density functional augmented with nonlocal van der Waals interactions. The…
The steady and transient response of "dynamically" dry and moist atmospheres to uniform sea-surface temperature (SST) is studied. Specifically, the latent heat (Lv) of water vapor is varied, so that for small Lv, water substance is…
In the supercooled regime at elevated pressure two forms of liquid water, high-density (HDL) and low-density (LDL), have been proposed to be separated by a coexistence line ending at a critical point, but a connection to ambient conditions…
It is well known that energy dissipation and finite size can deeply affect the dynamics of granular matter, often making usual hydrodynamic approaches problematic. Here we report on the experi-mental investigation of a small model system,…
The organization of water molecules and ions between charged mineral surfaces determines the stability of colloidal suspensions and the strength of phase-separated particulate gels. In this article we assemble a density functional that…
Over its multibillion-year history, the Earth has experienced a wide range of climates. The long-term climate is controlled by the atmospheric carbon dioxide concentration, which is regulated by marine sequestration through chemical…
Ocean mesoscale eddies can be thought of as the "weather" of the ocean and strongly influence the ocean's physics, chemistry, and biology; they influence other components of the Earth system via air-sea and sea-ice interactions, and are…
Although liquid water is ubiquitous in chemical reactions at roots of life and climate on the earth, the prediction of its properties by high-level ab initio molecular dynamics simulations still represents a formidable task for quantum…
Chitin and protein are two main building blocks for many natural biomaterials. The interaction between chitin and protein critically determines the properties of the composite biological materials. As living organisms usually encounter…
A good representation of mesoscopic fluids is required to combine with molecular simulations at larger length and time scales (De Fabritiis {\it et. al}, Phys. Rev. Lett. 97, 134501 (2006)). However, accurate computational models of the…
Saltwater Intrusion (SWI) threatens freshwater availability, agriculture, and ecosystem resilience in coastal regions. While sea-level rise (SLR) is a known driver of long-term salinization, the counteracting role of freshwater discharge…
Europa's surface composition and evidence for cryovolcanic activity can provide insight into the properties and composition of the subsurface ocean, allowing the evaluation of its potential habitability. One promising avenue for revealing…
It will be shown that for a solution of salt dissolved in water in contact with a metallic wall, the concentration of salt ions (both positive and negative) within a few Angstroms of the wall can be large enough to exceed the solubility…