Sluggish and Chemically-Biased Interstitial Diffusion in Concentrated Solid Solution Alloys: Mechanisms and Methods

Interstitial diffusion is a pivotal process that governs the phase stability and irradiation response of materials in non-equilibrium conditions. In this work, we study sluggish and chemically-biased interstitial diffusion in Fe-Ni concentrated solid solution alloys (CSAs) by combining machine learning (ML) and kinetic Monte Carlo (kMC), where ML is used to accurately and efficiently predict the migration energy barriers on-the-fly. The ML-kMC reproduces the diffusivity that was reported by molecular dynamics results at high temperatures. With this powerful tool, we find that the observed sluggish diffusion and the "Ni-Ni-Ni"-biased diffusion in Fe-Ni alloys are ascribed to a unique "Barrier Lock" mechanism, whereas the "Fe-Fe-Fe"-biased diffusion is influenced by a "Component Dominance" mechanism. Inspired by the mentioned mechanisms, a practical AvgS-kMC method is proposed for conveniently and swiftly determining interstitial-mediated diffusivity by only relying on the mean energy barriers of migration patterns. Combining the AvgS-kMC with the differential evolutionary algorithm, an inverse design strategy for optimizing sluggish diffusion properties is applied to emphasize the crucial role of favorable migration patterns.

Detection and Attention: Diagnosing Pulmonary Lung Cancer from CT by Imitating Physicians

This paper proposes a novel and efficient method to build a Computer-Aided Diagnoses (CAD) system for lung nodule detection based on Computed Tomography (CT). This task was treated as an Object Detection on Video (VID) problem by imitating how a radiologist reads CT scans. A lung nodule detector was trained to automatically learn nodule features from still images to detect lung nodule candidates with both high recall and accuracy. Unlike previous work which used 3-dimensional information around the nodule to reduce false positives, we propose two simple but efficient methods, Multi-slice propagation (MSP) and Motionless-guide suppression (MLGS), which analyze sequence information of CT scans to reduce false negatives and suppress false positives. We evaluated our method in open-source LUNA16 dataset which contains 888 CT scans, and obtained state-of-the-art result (Free-Response Receiver Operating Characteristic score of 0.892) with detection speed (end to end within 20 seconds per patient on a single NVidia GTX 1080) much higher than existing methods.