A Molecular Dynamics Simulator for Optimal Control of Molecular Motion
Abstract
This report presents results of a Molecular Dynamics Simulator (MDS) used to explore optimal control of molecular motion. A realistic model of an interatomic potential is created by a configuration of magnets. This simulated potential approximately models both the short and long range portions of true molecular potentials. Atoms within a polyatomic molecule are simulated using carts which float on an airtrack, and a mechanical driver simulates the action of a controlling laser. In analogy with a molecular system, the potential is determined by analysis of a series of dynamics experiments. Knowledge of the potential, combined with optimal control theory, enables the design of the driver motion necessary to achieve controlled dissociation. Successful control requires overcoming a variety of difficulties analogous to those expected to be faced in the control of true molecular systems. The MDS provides insight into factors affecting the molecular control by demonstrating a real-time simulation of laser-controlled molecular dynamics.... Molecular dynamics, Molecular dynamics simulator, Control theory
Document Details
- Document Type
- Technical Report
- Publication Date
- Jun 18, 1993
- Accession Number
- ADA266572
Entities
People
- Herschel A. Rabitz
Organizations
- Princeton University