ICAMS / Interdisciplinary Centre for Advanced Materials Simulation

Atomistic Modelling and Simulation (AMS)

See also for this department: Members Publications

Closing the gap between nano- and macroscale: Atomic interactions vs. macroscopic materials behavior

T. Böhme, T. Hammerschmidt, R. Drautz, T. Pretorius.

J. C. Moreno-Piraján,

Thermodynamics - Kinetics of Dynamic Systems, InTech, Rijeka, Croatia, 129-164, (2011)

Keyword(s): density functional theory; bond order potentials
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