0000000000590075
AUTHOR
Marco Berghoff
Description of hard-sphere crystals and crystal-fluid interfaces: a comparison between density functional approaches and a phase-field crystal model.
In materials science the phase field crystal approach has become popular to model crystallization processes. Phase field crystal models are in essence Landau-Ginzburg-type models, which should be derivable from the underlying microscopic description of the system in question. We present a study on classical density functional theory in three stages of approximation leading to a specific phase field crystal model, and we discuss the limits of applicability of the models that result from these approximations. As a test system we have chosen the three--dimensional suspension of monodisperse hard spheres. The levels of density functional theory that we discuss are fundamental measure theory, a …
Using On-Demand File Systems in HPC Environments
In modern HPC systems, parallel (distributed) file systems are used to allow fast access from and to the storage infrastructure. However, I/O performance in large-scale HPC systems has failed to keep up with the increase in computational power. As a result, the I/O subsystem which also has to cope with a large number of demanding metadata operations is often the bottleneck of the entire HPC system. In some cases, even a single bad behaving application can be held responsible for slowing down the entire HPC system, disrupting other applications that use the same I/O subsystem. These kinds of situations are likely to become more frequent in the future with larger and more powerful HPC systems…