English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Plus monthly

Global: Zendy Tools annual

Global: Zendy Tools monthly

Global: Zendy Free Plan

Diffusion involving atom transport from one location to another governs manyimportant processes and behaviors such as precipitation and phase nucleation.Local chemical complexity in compositionally complex alloys poses challengesfor modeling atomic diffusion and the resulting formation of chemically orderedstructures. Here, we introduce a neural network kinetics (NNK) scheme thatpredicts and simulates diffusion-induced chemical and structural evolution incomplex concentrated chemical environments. The framework is grounded onefficient on-lattice structure and chemistry representation combined withneural networks, enabling precise prediction of all path-dependent migrationbarriers and individual atom jumps. Using this method, we study thetemperature-dependent local chemical ordering in a refractory Nb-Mo-Ta alloyand reveal a critical temperature at which the B2 order reaches a maximum. Ouratomic jump randomness map exhibits the highest diffusion heterogeneity(multiplicity) in the vicinity of this characteristic temperature, which isclosely related to chemical ordering and B2 structure formation. The scalableNNK framework provides a promising new avenue to exploring diffusion-relatedproperties in the vast compositional space within which extraordinaryproperties are hidden.

Neural Network Kinetics: Diffusion Multiplicity and B2 Ordering in Compositionally Complex Alloys