The understanding of H diffusion in materials is pivotal to designing suitable processes. Though a nudged elastic band (NEB)+molecular dynamics (MD)/quantum mechanics (QM) algori...
1 In this paper we present modeling and simulation for physical vapor deposition for metallic bipolar plates. In the models we discuss the application of different models to simula...
While existing mathematical descriptions can accurately account for phenomena at microscopic scales (e.g. molecular dynamics), these are often high-dimensional, stochastic and thei...
Simulation is a low cost alternative to experimentation on real-world physical systems. Grid technology enables coordinated use of and secure access to distributed computing resou...
Xinjun Chen, Wentong Cai, Stephen John Turner, Yon...
Exceptionally large amounts of both distributed data and computational resources are becoming available through the Grid. This will enable efficient exchange and processing of very...