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Modeling of chemical processes is an important activity at ORNL, from design of new materials such as synthetic lubricants and alloys to the simulation of complex reactions such as bioremediation, combustion, and digestion. |
ORNL: Science & Technology: Simulation Science: Physical and Chemical Sciences
OAK RIDGE NATIONAL LABORATORY
Physical and Chemical Sciences
Modeling of chemical processes is an important activity at ORNL, from design of new materials such as synthetic lubricants and alloys to the simulation of complex reactions such as bioremediation, combustion, and digestion.
History
Materials Research Highlights 1990-98 (SC98 exhibit)
Computational Chemistry visualizations (SC98 exhibit)
Solid State Theory (1962-1972)
Current Research
Computer Science and Mathematics (CSM) Division
Catalytic Converter Modeling
Computational Materials Sciences
Improving Performance/Reliability of Ceramic Coatings
Lightweight, High Energy Density Batteries
Methane Hydrates Modeling
Environmental Sciences Division
Industrial Mixed Waste Plumes in Structured Media (with CSM)
Metals and Ceramics Division
Atomistic Mechanisms in Interface Science
Materials, Methods, Microstructure, and Magnetism
Theoretical Studies of Metals, Alloys, and Ceramics
Physics Division
Core Collapse Supernovae
Quantum Many-Body Problem
Chemical Technology Division (CTD) Fluid Structure and Properties Group
Molecular-Based Study of Fluids and Amorphous Materials
Nanotechnology with an Emphasis on Tribology
Virtual Human
Notable Results
1998 Gordon Bell Award (First real science application to achieve a TeraFLOP)
HydroBioGeoChem 123D (simulation of coupled non-isothermal hydrologic transport and biogeochemical kinetic and/or equilibrium reactions in variably saturated media)
Ion Implantation (discovery of the Ion Channeling effect)
MARLOWE (simulating atomic collision processes in crystalline solids)
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This subject tree provided and maintained by Computer Science and Mathematics (CSM) Division
URL http://www.csm.ornl.gov/newPC.html
Updated: Thursday, 10-Apr-2003 06:41:56 EDT