most citedBest Practices for Fitting Machine Learning Interatomic Potentials for Molten Salts: A Case Study Using NaCl-MgCl2

15 citations · 29 across the 9 of their papers we have counts for

collaborators

9 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…

cond-mat.mtrl-sci2026

Thermal Transport in SiC with Intrinsic Defects and Mg Transmutation Products

Chen Shen, Yang Su, Maciej P. Polak +5

Silicon carbide is a leading candidate material for advanced nuclear energy systems, but irradiation-induced defects and transmutation products can severely degrade its thermal con…

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

How Can Machine Learning Accelerate CALPHAD Free Energy Modeling?

Chen Shen, Muhammad Waqas Qureshi, Mark Asta +2

The CALPHAD framework provides a rigorous basis for thermodynamic modeling, yet its ability to predict new chemistries is restricted by limited data and by functional forms that re…

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…

cond-mat.mtrl-sci2024★ 2 cited

SuperSalt: Equivariant Neural Network Force Fields for Multicomponent Molten Salts System

Chen Shen, Siamak Attarian, Yixuan Zhang +4

Molten salts are crucial for clean energy applications, yet exploring their thermophysical properties across diverse chemical space remains challenging. We present the development…

cond-mat.mtrl-sci2024★ 15 cited

Best Practices for Fitting Machine Learning Interatomic Potentials for Molten Salts: A Case Study Using NaCl-MgCl2

Siamak Attarian, Chen Shen, Dane Morgan +1

In this work, we developed a compositionally transferable machine learning interatomic potential using atomic cluster expansion potential and PBE-D3 method for (NaCl)1-x(MgCl2)x mo…

cond-mat.mtrl-sci2024★ 12 cited

Studies of Ni-Cr complexation in FLiBe molten salt using machine learning interatomic potentials

Siamak Attarian, Dane Morgan, Izabela Szlufarska

In nuclear and/or solar applications that involve molten salts, impurities frequently enter the salt as either fission products or via corrosion. Impurities can interact and make c…