Related papers: Disentangling peri-urban river hypoxia
Effects of heterogeneity of mineral distribution and reaction rate on the rock dissolution process are investigated using a pore-scale reactive transport model based on the lattice Boltzmann method. Coupled fluid flow, species transport,…
Using concepts from perturbation and local molecular field theories of liquids we divide the potential of the SPC/E water model into short and long ranged parts. The short ranged parts define a minimal reference network model that captures…
Certain subterranean environments of Earth have naturally accumulated long-lived radionuclides, such as 238U, 232Th and 40K, near the presence of liquid water. In these natural radioactive environments (NRE), water radiolysis can produce…
Oxygen exchange at oxide/liquid and oxide/gas interfaces is important in technology and environmental studies, as it is closely linked to both catalytic activity and material degradation. The atomic-scale details are mostly unknown,…
Water near hydrophobic surfaces is like that at a liquid-vapor interface, where fluctuations in water density are substantially enhanced compared to that in bulk water. Here we use molecular simulations with specialized sampling techniques…
We present a study using molecular dynamics simulations based on the Fermi-Jagla potential model, which is the continuous version of the mono-atomic core-softened Jagla model [J. Y. Abraham, S. V. Buldyrev, and N. Giovambattista, J. Phys.…
The dissolved organic matter (DOM) composition in river ecosystems could reflect the human impacts on the river ecosystem, and plays an important role in the carbon cycling process. We collected water and phytoplankton samples at 107 sites…
The shear/laminar flow of liquids/gas/plasma/biological cells (BC), etc. is equivalent to dislocation-like shear of solids. The turbulent flow is the next stage of deformation/ multiplication of dislocation-like defects and their ordering…
We present evidence that the Einstein relation (ER) breaks down completely in pure water and dilute aqueous solutions under strong centrifugation fields at 40 oC. Isotopologues (e.g., H2O-18) and solutes migrate at a speed of only 5% of…
The properties of hydrogen at high pressure have wide implications in astrophysics and high-pressure physics. Its phase change in the liquid is variously described as a metallization, H2-dissociation, density discontinuity or plasma phase…
The effects of mid-range repulsion in Lattice Boltzmann models on the coalescence/breakup behaviour of single-component, non-ideal fluids are investigated. It is found that mid-range repulsive interactions allow the formation of spray-like,…
We investigate the microscopic origin of water's anomalies by inspecting the hydrogen bond network (HBN) and the spatial organization of low-density-liquid (LDL) like and high-density-liquid (HDL) like environments. Specifically, we…
Water is vital for life, and without it biomolecules and cells cannot maintain their structures and functions. The remarkable properties of water originate from its ability to form hydrogen-bonding networks and dynamics, which the…
The interface between hemoglobin (Hb) and its environment, in particular water, is of great physiological relevance. Here, results from {\it in vitro}, {\it in vivo}, and computational experiments (molecular dynamics simulations) are…
Hydrogen loss from a-SiNx:H films under irradiation with 100 MeV Ag7+ ions using elastic recoil detection analysis (ERDA) experiments is reported. The results are explained under the basic assumptions of the molecular recombination model.…
We investigate the evolution of particle ensembles in open chaotic hydrodynamical flows. Active processes of the type A+B --> 2B and A+B --> 2C are considered in the limit of weak diffusion. As an illustrative advection dynamics we consider…
We consider the problem of inference for nonlinear, multivariate diffusion processes, satisfying It\^o stochastic differential equations (SDEs), using data at discrete times that may be incomplete and subject to measurement error. Our…
Repeat observations provide essential constraints on long-term changes in the ocean interior, such as warming and cooling trends. However, attributing these Eulerian signals to either reversible isopycnal heaving or irreversible diabatic…
Systems comprising a turbulent channel flow overlaying a permeable bed can be found in a variety of industrial and natural applications (e.g. urban planning, fracking, submerged vegetation). One important realization of this system is at…
We extend a three-stage anaerobic digestion model by incorporating microbial mortality into the hydrolysis of particulate organic matter. The model describes hydrolysis, acidogenesis, and methanogenesis, each with distinct dilution and…