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The enhancement of surface diffusion (DS) over the bulk (DV) in metallic glasses (MGs) is well documented and likely to strongly influence the properties of glasses grown by vapor deposition. Here, we use classical molecular dynamics…
Charge transfer in concentrated alloys governs their structural stability and functional response, and can be strongly perturbed by lattice defects. In high-entropy alloys, the interaction between edge dislocations and volume misfit plays a…
In this paper, we investigate the diffusion least mean square (DLMS) algorithm over fading channel, where in addition to channel noise and path-loss the inter-node-interference (INI) among neighboring nodes of a host node is also taken into…
Inference-time steering enables pretrained diffusion/flow models to be adapted to new tasks without retraining. A widely used approach is the ratio-of-densities method, which defines a time-indexed target path by reweighting…
We present a comprehensive set of first principles electronic structure calculations to study transition metal solutes and their interactions with point defects in austenite. Clear trends were observed across the series. Solute-defect…
We perform a series of smoothed particle hydrodynamics simulations of isolated dwarf galaxies to compare different metal mixing models. In particular, we examine the role of diffusion in the production of enriched outflows, and in…
Stochastic reaction-diffusion models are now a popular tool for studying physical systems in which both the explicit diffusion of molecules and noise in the chemical reaction process play important roles. The Smoluchowski diffusion-limited…
Microstructural heterogeneity affects the macro-scale behavior of materials. Conversely, load distribution at the macro-scale changes the microstructural response. These up-scaling and down-scaling relations are often modeled using…
In 6G mobile communication systems, various AI-based network functions and applications have been standardized. Federated learning (FL) is adopted as the core learning architecture for 6G systems to avoid privacy leakage from mobile user…
Metallic glasses are promising materials with unique mechanical and thermal properties, but their atomic-scale dynamics remain challenging to understand. In this work, we develop a unified approach to investigate the glass transition and…
In order to achieve the dual goals of privacy and learning across distributed data, Federated Learning (FL) systems rely on frequent exchanges of large files (model updates) between a set of clients and the server. As such FL systems are…
This work presents an analytical investigation of anomalous diffusion and turbulence in a dusty plasma monolayer, where energy transport across scales leads to the spontaneous formation of spatially disordered patterns. Many-body…
The annealing kinetics of mobile intrinsic defects is investigated by an ab initio method based on density functional theory. The interstitial-vacancy recombination, the diffusion of vacancies and interstitials to defect sinks (e.g.…
The dynamics of a glass-forming material slow greatly near the glass transition, and molecular motion becomes inhibited. We use confocal microscopy to investigate the motion of colloidal particles near the colloidal glass transition. As the…
Molecular dynamics simulations are a powerful tool to study diffusion processes in battery electrolyte and electrode materials. From a single molecular dynamics simulation many properties relevant to diffusion can be obtained, including the…
In a binary fluid mixture, the concentration gradient of a heavier molecular solute leads to a diffusive flux of solvent and solute to achieve thermodynamic equilibrium. If the solute concentration decreases with height, the system is…
Additive manufacturing (AM) enables the development of high-performance architected cellular materials, emphasizing the growing importance of establishing programmable and predictable energy absorption capabilities. This study evaluates the…
We propose a hybrid deterministic and stochastic approach to achieve extended time scales in atomistic simulations that combines the strengths of molecular dynamics (MD) and Monte Carlo (MC) simulations in an easy-to-implement way. The…
When a less viscous Newtonian fluid displaces an aging aqueous clay suspension in a confined space, a rich array of interfacial patterns emerges due to a predominantly viscous instability. In the present work, we controlled the mechanical…
We present an effective stochastic advection-diffusion-reaction (SADR) model that explains incomplete mixing typically observed in transport with bimolecular reactions. Unlike traditional advection-dispersion-reaction models, the SADR model…