Publications Repository - Helmholtz-Zentrum Dresden-Rossendorf

Resume : Micro- and nano-structured materials are crucial for future energy technologies. Key processes during production and life-time are governed by self-organization in phase separation processes at the micro and nano scale. Examples include nano-structured Silicon absorber layers in solar cells providing tailored band-gaps [Apl. Phys. Lett. 103, 133106 (2013)] as well as cheap production and micro-patterned electrolyte-matrices] enhancing life-time and efficiency in a range of fuel cell technologies. Simulations of these out-of-equilibrium, inhomogeneous real world systems provide important insights, finding potential for optimization of structures and process parameters. To this end, kinetic lattice Monte Carlo simulations can be used to model physical systems at experimental scales in an atomistic way, thereby side-stepping many caveats connected with the alternative phase-field simulations. In this contribution, we present two massively parallel implementations for large-scale simulations on GPUs: One is optimized to offer fast time-to-solution on experimental-scale simulations [Eur. J. Phys.: Spec. Top. 210, 175 (2012)], the other provides highly efficient parameter studies or large sample sizes for large-scale simulations [Phys. Rev. E (2016) submitted]. Harnessing the compute power of modern (multi-)GPU installations leads to increased energy efficiency as well as reduced time-to-solution.