Agentic AI for autonomous discovery of radiation-tolerant CoCrFeMnNi high entropy alloys

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Machine learning guided appraisal and exploration of phase design for high entropy alloys

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Materials informatics for the screening of multi-principal elements and high-entropy alloys

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Lattice distortion as an estimator of solid solution strengthening in high-entropy alloys

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Machine Learned Feature Identification for Predicting Phase and Young's Modulus of Low-, Medium- and High-Entropy Alloys

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Lattice distortions in high-entropy alloys

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Bayesian optimization with active learning of design constraints using an entropy-based approach

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Machine learning assisted prediction of the Young’s modulus of compositionally complex alloys

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Monte Carlo simulation of order-disorder transition in refractory high entropy alloys: A data-driven approach

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Predictive descriptors in machine learning and data-enabled explorations of high-entropy alloys

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Modelling and prediction of hardness in multi-component alloys: A combined machine learning, first principles and experimental study

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In situ microstructural evolution in face-centered and body-centered cubic complex concentrated solid-solution alloys under heavy ion irradiation

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Effective pair potential for random fcc CoCrFeMnNi alloys

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HoneyComb: A Flexible LLM-Based Agent System for Materials Science

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Phase stability, mechanical properties, and ion irradiation effects in face-centered cubic CrFeMnNi compositionally complex solid-solution alloys at high temperatures

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Radiation driven diffusion in γU-Mo

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End-to-end prediction and design of additively manufacturable alloys using a generative AlloyGPT model

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Bridging language models and computational materials science: A prompt-driven framework for material property prediction

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Molecular dynamics simulations of displacement cascades in LiAlO2 and LiAl5O8 ceramics

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Composition and Structure of NiCoFeCr and NiCoFeCrMn High-Entropy Alloys Irradiated by Helium Ions

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Radiation Resistance of High-Entropy Alloys CoCrFeNi and CoCrFeMnNi, Sequentially Irradiated with Kr and He Ions

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Phase Stability, Structural Properties, Electronegativity, Mechanical Properties, and Neutron and Gamma-Ray Attenuation Properties of Cantor High Entropy Alloys for Advanced Nuclear Applications

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Insights into radiation resistance of titanium alloys from displacement cascade simulations

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Molecular dynamics study of grain boundaries as defect sinks under irradiation in LiAlO2 and LiAl5O8

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Accelerating multimetallic catalyst discovery with robotics and agentic AI

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The Damage Cascade

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Radiation-induced thermal conductivity degradation in LiAlO2 and LiAl5O8 investigated by molecular dynamics

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From Scientific Copilots to Tool-Grounded Autonomy: AI Agents in Simulation-Driven Materials Discovery

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