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20212026
most citedMechanisms of bulk and surface diffusion in metallic glasses determined from molecular dynamics simulations

46 citations · 61 across the 10 of their papers we have counts for

collaborators

10 papers

cond-mat.mtrl-sci2026

Morphology and Dynamics of Self-interstitial Clusters in Irradiated Nickel

Ajay Annamareddy, Ibrahim Momohjimoh, Hangyu Li +3

Self-interstitial atom (SIA) clustering is a key early step in radiation damage evolution in face-centered cubic (FCC) metals, governing defect transport, recombination, and the lo…

cond-mat.mtrl-sci2026

Accurate Evaluation of Nanoscale Spatiotemporal Dynamics with Electron Correlation Microscopy

Po-Cheng Kung, Ajay Annamareddy, Mark D. Ediger +2

Electron correlation microscopy (ECM) can measure materials dynamics with nanoscale spatial resolution from intensity correlation functions. However, adopting X-ray photon correlat…

cs.CV2026

Improving Combined Detection and Classification of TEM Defects via Mask-Conditioned Latent Diffusion Augmentation

Ni Li, Nuohao Liu, Ryan Jacobs +5

Analyzing microstructural defects in transmission electron microscopy (TEM) images, particularly in irradiated metal alloys, is often limited by the availability of high-quality, l…

cond-mat.mtrl-sci2026

Asymmetric Energy Landscapes Control Diffusion in Glasses

Ajay Annamareddy, Bu Wang, Paul M. Voyles +2

While diffusion in crystalline solids is quantitatively understood through defect-mediated atomic hops, no comparable quantitative framework exists for glasses. In these systems, t…

cs.CE2025

Physical regularized Hierarchical Generative Model for Metallic Glass Structural Generation and Energy Prediction

Qiyuan Chen, Ajay Annamareddy, Ying-Fei Li +2

Disordered materials such as glasses, unlike crystals, lack long range atomic order and have no periodic unit cells, yielding a high dimensional configuration space with widely var…

cond-mat.mtrl-sci2023

How close are the classical two-body potentials to ab initio calculations? Insights from linear machine learning based force matching

Zheng Yu, Ajay Annamareddy, Dane Morgan +1

In this work, we propose a linear machine learning force matching approach that can directly extract pair atomic interactions from ab initio calculations in amorphous structures. T…

cond-mat.mtrl-sci2022★ 3 cited

Distribution of atomic rearrangement vectors in a metallic glass

Ajay Annamareddy, Bu Wang, Paul M. Voyles +1

Short-timescale atomic rearrangements are fundamental to the kinetics of glasses and frequently dominated by one atom moving significantly (a rearrangement), while others relax onl…

cond-mat.mtrl-sci2022★ 1 cited

Compositional Trends in Surface Enhanced Diffusion in Lead Silicate Glasses

Ajay Annamareddy, Manel Molina-Ruiz, Donez Horton-Bailey +4

In this work, we use molecular dynamics simulations to study the enhancement of surface over bulk diffusion (surface enhanced diffusion) in (PbO)x(SiO2)1-x glasses. This work is mo…

cond-mat.mtrl-sci2021★ 46 cited

Mechanisms of bulk and surface diffusion in metallic glasses determined from molecular dynamics simulations

Ajay Annamareddy, Paul M. Voyles, John Perepezko +1

The bulk and surface dynamics of Cu50Zr50 metallic glass were studied using classical molecular dynamics (MD) simulations. As the alloy undergoes cooling, it passes through liquid,…

cond-mat.mtrl-sci2021★ 11 cited

Factors correlating to enhanced surface diffusion in metallic glasses

Ajay Annamareddy, Yuhui Li, Lian Yu +2

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…