Search for: All records

Interface free energy is a fundamental material parameter needed to predict the nucleation and growth of new phases. The high cost of experimentally determining this parameter makes it an ideal target for calculation through a physically informed simulation. Direct determination of interface free energy has many challenges, especially for solid–solid transformations. Indirect determination of the interface free energy from the nucleation data has been done in the case of solidification. However, a slow on molecular dynamics (MD) simulation time scale atomic diffusion makes this method not applicable to the case of nucleation from the solid phase when precipitate composition is different from that in matrix. To address this challenge, we outline the development of a new technique for determining the critical nucleus size from an MD simulation using a recently developed method to accelerate solid-state diffusion. The accuracy of our approach for the Ni–Al system for Ni3Al (γ′) precipitates in a Ni–Al (γ) matrix is demonstrated well within experimental accuracy and greatly improves upon previous computational methods [Herrnring et al., Acta Mater. 215(8), 117053 (2021)]. 

Abstract Multiprincipal-element alloys are an enabling class of materials owing to their impressive mechanical and oxidation-resistant properties, especially in extreme environments^1,2. Here we develop a new oxide-dispersion-strengthened NiCoCr-based alloy using a model-driven alloy design approach and laser-based additive manufacturing. This oxide-dispersion-strengthened alloy, called GRX-810, uses laser powder bed fusion to disperse nanoscale Y₂O₃particles throughout the microstructure without the use of resource-intensive processing steps such as mechanical or in situ alloying^3,4. We show the successful incorporation and dispersion of nanoscale oxides throughout the GRX-810 build volume via high-resolution characterization of its microstructure. The mechanical results of GRX-810 show a twofold improvement in strength, over 1,000-fold better creep performance and twofold improvement in oxidation resistance compared with the traditional polycrystalline wrought Ni-based alloys used extensively in additive manufacturing at 1,093 °C^5,6. The success of this alloy highlights how model-driven alloy designs can provide superior compositions using far fewer resources compared with the ‘trial-and-error’ methods of the past. These results showcase how future alloy development that leverages dispersion strengthening combined with additive manufacturing processing can accelerate the discovery of revolutionary materials. 

We characterize mutation-finite cluster algebras of rank at least 3 using positive semi-definite quadratic forms. In particular, we associate with every unpunctured bordered surface a positive semi-definite quadratic space V , and with every triangulation a basis in V , such that any mutation of a cluster (i.e., a flip of a triangulation) transforms the corresponding bases into each other by partial reflections. Furthermore, every triangulation gives rise to an extended affine Weyl group of type A, which is invariant under flips. The construction is also extended to exceptional skew-symmetric mutation-finite cluster algebras of types E.