arXiv subjects

Indradev Samajdar

Publications and source records attributed to Indradev Samajdar.

3 recordsLinked to original sources

arXiv2026

Influence of Hydrogen on Dislocation Relaxation in BCC Iron: Atomistic Mechanisms and Implications

In this study, the influence of pure dislocation and hydrogen-dislocation interactions on anelastic response or internal friction relaxation peaks in bcc-iron was investigated. These relaxations are primarily governed by thermally activated kink nucleation and kink migration events. An atomistic multiscale framework, coupling molecular dynamics (MD) and kinetic Monte Carlo (KMC) simulations, was developed to investigate the underlying atomistic mechanisms behind dislocation-relaxation peaks. MD simulations revealed that the presence of hydrogen atoms near the dislocation core facilitates the kink nucleation process by reducing the nucleation barrier while enhancing the barrier for dislocation migration. The KMC model captured Snoek-Koster peaks arising from the Cottrell atmosphere formed by hydrogen atoms and clusters around the dislocation core, providing insights into the atomistic mechanisms controlling these relaxations. Furthermore, the proposed computational scheme elucidated a unique linear relationship between hydrogen content and the internal friction loss factor, offering a methodology for hydrogen detection and quantification.

cond-mat.mtrl-sci↗

arXiv2024

Microstructural and Mechanistic Insights into the Tension-Compression Asymmetry of Rapidly Solidified Fe-Cr Alloys: A Phase Field and Strain Gradient Plasticity Study

Rapid solidification in Additively Manufactured (AM) metallic materials results in the development of significant microscale internal stresses, which are attributed to the printing induced dislocation substructures. The resulting backstress due to the Geometrically Necessary Dislocations (GNDs) is responsible for the observed Tension-Compression (TC) asymmetry. We propose a combined Phase Field (PF)-Strain Gradient $J_2$ Plasticity (SGP) framework to investigate the TC asymmetry in such microstructures. The proposed PF model is an extension of Kobayashi's dendritic growth framework, modified to account for the orientation-based anisotropy and multi-grain interaction effects. The SGP model has consideration for anisotropic temperature-dependent elasticity, dislocation strengthening, solid solution strengthening, along with GND-induced directional backstress. This model is employed to predict the solute segregation, dislocation substructure and backstress development during solidification and the post-solidification anisotropic mechanical properties in terms of the TC asymmetry of rapidly solidified Fe-Cr alloys. It is observed that higher thermal gradients (and hence, cooling rates) lead to higher magnitudes of solute segregation, GND density, and backstress. This also correlates with a corresponding increase in the predicted TC asymmetry. The results presented in this study point to the microstructural factors, such as dislocation substructure and solute segregation, and mechanistic factors, such as backstress, which may contribute to the development of TC asymmetry in rapidly solidified microstructures.

cond-mat.mtrl-sci↗

arXiv2013

Plastic flow in a sheared polycrystalline solid using phase field model

Plastic deformation in solids induced by external shear stress is of huge practical interest. Presence of local crystalline order in polycrystals, consisting of many grains, distinguishes its deformation pattern from that of amorphous materials. Despite strong anisotropy, induced by external stress, the plastic flow and the consequent deformation field show strong dynamical heterogeneity. The distribution $P(u)$ of particle displacements ($u$) shows three distinct regimes including a power law scaling regime at moderate displacements. Using a phase field simulation we show how polycrystals generate saddle and vortex like flow patterns, which hitherto have been termed as elementary plastic events in the context of amorphous materials. Interestingly, such events here find natural explanation in terms of the underlying dislocation dynamics. We also characterize the spatial distribution of the flow field using Okubo-Weiss measure.

cond-mat.soft↗