Polymer Engineering Faculty Research
Title
Methods and Systems for Accurate Simulation of Surfaces and Interfaces of FCC Metals
Document Type
Patent
Publication Date
9-30-2010
Abstract
The Lennard-Jones parameters for metals, such as fcc metals, have been developed which are suitable for the simulation of the metals, alloys, and interfaces with water, organic, inorganic, and biological molecules. The models are compatible with common materials-oriented and biomolecular force fields, and can thus be integrated in commercial simulation packages to extend their applicability to any metal-related systems.
Recommended Citation
Heinz, Hendrik, "Methods and Systems for Accurate Simulation of Surfaces and Interfaces of FCC Metals" (2010). Polymer Engineering Faculty Research. 518.
https://ideaexchange.uakron.edu/polymerengin_ideas/518