Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
Results
Showing 1 to 4 of 4 for “"Empirical potential based Quasi-continuum Theory (EQT)"”.
-
A multiscale theory to determine thermodynamic properties of confined fluids
Empirical potential-based quasi-continuum theory (EQT) provides a route to incorporate atomistic detail into a continuum framework such as the Nernst- Planck equation. EQT is a simple and fast approach to predict inhomogeneous density and potential profiles of confined fluids. EQT potentials can be …
-
A multiscale framework for structure of confined water and electrolytes
… properties of the nanofluidic systems. Classical continuum theories fail to accurately describe such atomic level variations in the properties of nanoconfined fluids. Moreover, accurate modeling of molecular-level details of water is still a long-standing challenge for liquid state theories. In …
-
Bridging the gap between atomistic and continuum models to predict dielectric and thermodynamic properties of confined fluids
… expensive. On the other hand, classical continuum theories fails to accurately describe the fluid properties at atomic level. Thus, there is a need for a multiscale frame work to maintain the balance between accuracy and rigor of atomistic simulations and efficiency of continuum …
-
Multiscale models for structure and dynamics of confined fluids
… and many others. Our structural model is based on an empirical potential based quasi-continuum theory (EQT). EQT is a multiscale theory that seamlessly integrates the interatomic potentials describing various atomic interactions into a continuum framework to obtain the equilibrium density …