14 citations · 26 across the 7 of their papers we have counts for
10 papers
Designing sustainable high-entropy alloys directly from mixed oxides: A thermodynamic perspective
Albert Linda, Shiv Shankar, Dierk Raabe
Hydrogen-based direct reduction (HyDR) of mixed oxide precursors offers an alternative route to produce sustainable alloys, bypassing the sequential extraction, refining, and remel…
Error-controlled switching between discrete and continuum dislocations in a unified defect framework
Albert Linda
Simulating defects of every dimension together is expensive, and the savings of adaptive methods are rarely tested at equal accuracy. We present a variational framework in which fi…
Local-resolvent formulation and assessment of linear-scaling Kohn-Sham calculations
Albert Linda
Kohn-Sham density-functional theory is expensive because it needs orbitals that extend over the whole system. For insulators this can be avoided by using only the diagonal of the o…
Implications of an analysis of the shear transformation of a zone of an oblate spheroid for dislocation theory, grain boundary sliding and superplasticity
Albert Linda, K. A. Padmanabhan
Grain boundary sliding models of superplastic flow take the elementary event to be the shear of an oblate-spheroidal unit embedded in a solid matrix, whose rate follows transition…
Physics Aware Representation Learning on Electronic Charge Density for Materials Property Prediction
Kammampati Sai Kumar, Albert Linda, Shubham Kumar Maurya +1
The fundamental quantity governing the mechanical and thermodynamic properties of a crystalline solid is its electronic charge density. Yet, its direct use for the rapid prediction…
Multiscale Modeling of Abnormal Grain Growth: Role of Solute Segregation and Grain Boundary Character
Albert Linda, Rajdip Mukherjee, Somnath Bhowmick
Abnormal grain growth (AGG) influences the properties of polycrystalline materials; however, the underlying mechanisms, particularly the role of solute segregation at the grain bou…
Deep Learning Assisted Denoising of Experimental Micrographs
Owais Ahmad, Albert Linda, Saumya Ranjan Jha +1
Microstructure imaging is crucial in materials science, but experimental images often introduce noise that obscures critical structural details. This study presents a novel deep le…
Effect of Cr Segregation on Grain Growth in Nanocrystalline α-Fe Alloy: A Multiscale Modelling Approach
Sandip Guin, Albert Linda, Yu-Chieh Lo +2
We present a multiscale modelling framework that integrates density functional theory (DFT) with a phase-field model (PFM) to explore the intricate dynamics of grain growth in nano…
Accelerating the prediction of stacking fault energy by combining ab initio calculations and machine learning
Albert Linda, Md. Faiz Akhtar, Shaswat Pathak +1
Stacking fault energies (SFEs) are vital parameters for understanding the deformation mechanisms in metals and alloys, with prior knowledge of SFEs from ab initio calculations bein…
2mech: a Software Package Combining Microstructure Modeling and Mechanical Property Prediction
Albert Linda, Ankit Singh Negi, Vishal Panwar +4
We have developed a graphical user interface (GUI) based package 2mech to perform phase-field simulation for predicting microstructure evolution. The package can take inputs fro…