MS605 Computational design of functional thin films

D. Holec1, undefinedP.H. Mayrhofer1, J. Neugebauer2
1Montanuniversität Leoben/AT, 2Max-Planck-Institute for Iron Research/DE

 

The Symposium will focus on the design and understanding of functional thin films with improved physical (i.e., mechanical, optical, or electrical) and/or chemical properties (i.e., phase- and thermal stability, or oxidation resistance). The term functional is used to welcome papers that concentrate on thin film systems possessing an additional functionality to the classical applications such as decoration and mechanical protection. This may include, for example, the designs of functional protective coatings exhibiting a simultaneous resistance to wear as well as thermal effects, or that provide any kind of adaptation (e.g., in structure or hardness) to individual stimuli. The Symposium therefore aims to address topics from the fundamentals of deposition and growth processes, characterization of properties of new single, multilayer (superlattice), and nano-composite thin films, as well as their growth-structure-property correlations. Contributions on the development of new and innovative thin film materials, influence of structure , alloying content, surfaces and interfaces, as well as stimulating activities for the interaction between ab initio and other techniques, e.g. continuum mechanical approaches for stress/strain management, or molecular dynamics modeling of diffusion, are welcome. The Symposium will be subdivided into the following three ares:

  1. First principle calculations as a guide for designing thin films and functional surfaces and interfaces
  2. Multiscale/multimethod approaches for engineering next generation functional thin films
  3. Modeling and simulation of thin film growth mechanisms

 

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