Molecular phenomena in organic aerosol: water interaction
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Particle water and pH are predicted using meteorological observations (relative humidity (RH), temperature (T)), gas/particle composition, and thermodynamic modeling (ISORROPIA-II). A comprehensive uncertainty analysis is included, and the model is validat ...
Quantum antiferromagnets have proven to be some of the cleanest realizations available for theoretical, numerical, and experimental studies of quantum fluctuation effects. At finite temperatures, however, the additional effects of thermal fluctuations in t ...
The atomistic mechanisms of deformation in multicomponent random alloys are challenging to model because of their extensive structural and compositional disorder. For embedded-atom-method interatomic potentials, a formal averaging procedure can generate an ...
After their formation, mountainous landscapes gradually evolve toward smoother geometries controlled by the interplay of erosion and sedimentation. The statistical mechanical properties of this process and the link between topography and geology have remai ...
The condensational growth of a water droplet follows water vapor accommodation and is described by the mass accommodation coefficient, a. To determine a for droplets coated by straight chain and branched alcohols, we perform molecular dynamics simulations ...
Macroscopic theories of nucleation such as classical nucleation theory envision that clusters of the bulk stable phase form inside the bulk metastable phase. Molecular dynamics simulations are often used to elucidate nucleation mechanisms, by capturing the ...
SmB6 is a mixed valence Kondo system resulting from the hybridization between localized f electrons and delocalized d electrons. We have investigated its out-of-equilibrium electron dynamics by means of time- and angle-resolved photoelectron spectroscopy. ...
Mixing of fresh (river) water and salty water (seawater or saline brine) in a control fashion would produces an electrical energy known as salinity gradient energy (SGE). Two main conversion technologies of SGE are membrane-based processes; pressure retard ...
Anthropogenic releases of petroleum fluids, which contain thousands of compounds, represent a threat to marine environments. However, there was a lack of models able to explain the independent behaviors of the numerous compounds of a spilled petroleum flui ...
Computational studies of organic systems are frequently limited to static pictures that closely align with textbook style presentations of reaction mechanisms and isomerization processes. Of course, in reality chemical systems are dynamic entities where a ...