106 citations · 114 across the 9 of their papers we have counts for
9 papers
Multiscale Modeling of Materials - Concepts and Illustration
Aditi Mallik, Keith Runge, James W. Dufty +1
The approximate representation of a quantum solid as an equivalent composite semi-classical solid is considered for insulating materials. The composite is comprised of point ions m…
Constructing A Small Strain Potential for Multi-Scale Modeling
Aditi Mallik, Keith Runge, Hai-Ping Cheng +1
For problems relating to fracture, a consistent embedding of a quantum (QM) domain in its classical (CM) environment requires that the classical system should yield the same struct…
Origins of Hydrodynamics for a Granular Gas
James W. Dufty, J. Javier Brey
The basis for a hydrodynamic description of granular gases is discussed for a low density gas of smooth, inelastic hard spheres. The more fundamental mesoscopic description is take…
Hydrodynamics for a granular gas from an exactly solvable kinetic model
Aparna Baskaran, James W. Dufty
A simple exactly solvable kinetic model for the non-linear inelastic hard sphere Boltzmann equation is used to explore the relevance of hydrodynamics for a granular gas. The equati…
Brownian Motion in a Granular Fluid
J. W. Dufty, J. J. Brey
The Fokker-Planck equation for a heavy particle in a granular fluid is derived from the Liouville equation. The host fluid is assumed to be in its homogeneous cooling state and all…
An Application of Transfer Hamiltonian Quantum Mechanics to Multi-Scale Modeling
Aditi Mallik, Carlos E. Taylor, Keith Runge +1
In quantum/classical (QM/CM) partitioning methods for multi-scale modeling, one is often forced to introduce uncontrolled phenomenological effects of the environment (CM) in the qu…