The characterization and understanding of carbon flows in aquatic and terrestrial ecosystems are topics of paramount importance for several disciplines, such as ecology, biogeochemistry, oceanography, and climatology. Scientists have been studying such flows in many diverse ecosystems for decades, and sufficient information is now available to investigate whether any patterns are evident in how...

Aerodynamic flows involve features with a wide range of spatial and temporal scales which need to be resolved in order to accurately predict desired engineering quantities. While computational fluid dynamics (CFD) has advanced considerably in the past 30 years, the desire to perform more complex, higher-fidelity simulations remains. Present day CFD simulations are limited by the lack of an effi...

We show that dissipative particle dynamics (DPD) can be extended to simulate polymer rheology at the same time at the fluctuating mesoscopic coarse grained polymer scale and at the macroscopic scale where flow instabilities occur. We model the visco-elasticity of polymer liquids by introducing a finite fraction of dumbbells in the standard DPD fluid. The stretching and tumbling statistics of th...

An approach combining small-angle X-ray solution scattering (SAXS) data with coarse-grained (CG) simulations is developed to characterize the assembly states of Hck, a member of the Src-family kinases, under various conditions in solution. First, a basis set comprising a small number of assembly states is generated from extensive CG simulations. Second, a theoretical SAXS profile for each state...

Geophysic al flows over comp lex domains often encompass both coarse and highly resolved regions. Approxim ating these flows using shock-capturing methods with explicit timestep ping gives rise to a Courant–Friedrichs–Lewy (CFL) timestep constraint. This approach can result in small global timesteps often dictated by flows in small regions, vastly increasing computational effort over the whole ...