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During plastic deformation, metals change shape while continuously becoming stronger. The microscopic origin of these processes lies in the proliferation and movement of line defects, dislocations, and the subsequent self-organisation and…
In body-centred-cubic (bcc) metals migrating 1/2<111> screw dislocations experience a periodic energy landscape with a triangular symmetry. Atomistic simulations, such as those performed using the nudged-elastic-band (NEB) method, generally…
A clear understanding of the dynamic behavior of metals is critical for developing superior structural materials as well as for improving material processing techniques such as cold spray and shot peening. Using a high velocity (from 120…
In this work we provide an in-depth analysis of the sensing mechanisms of $NO_{2}$ by lead-sulfide nanocrystals (PbS-NCs). A detailed model for the sorption mechanism is proposed, and the correlation is established between experimental…
Dislocation mobility, which dictates the response of dislocations to an applied stress, is a fundamental property of crystalline materials that governs the evolution of plastic deformation. Traditional approaches for deriving mobility laws…
This work investigated the effects of aging heat treatments on the microstructure and, consequently, the quasi-static (tensile properties) and dynamic (impact toughness) mechanical behaviour of a 17-4 PH stainless steel produced by powder…
Uncertainties in the high-dimensional space of material parameters pose challenges for the predictive modeling of bcc single crystals, especially under extreme loading conditions. In this work, we identify the key physical assumptions and…
Nickel (Ni) is a magnetic transition metal with two allotropic phases, stable face-centered cubic (FCC) and metastable hexagonal close-packed (HCP), widely used in structural applications. Magnetism affects many mechanical and defect…
Active processes in living systems generate nonequilibrium forces that deform embedded passive macromolecules. To understand how such dynamics influence polymer conformation, we study a flexible passive chain in an active nematic fluid.…
We report the long-time nonlinear dynamical evolution of ultracold atomic gases in the P-band of an optical lattice. A Bose-Einstein condensate (BEC) is fast and efficiently loaded into the Pband at zero quasi-momentum with a non-adiabatic…
The twist-bend nematic (Ntb) phase is a recent addition to the nematic (N) phases of liquid crystals (LCs). A net polar order in the Ntb phase under an external electric field was predicted in several recent theoretical studies but yet to…
The importance of accurate simulation of the plastic deformation of ductile metals to the design of structures and components is well-known. Many techniques exist that address the length scales relevant to deformation pro- cesses, including…
Many tasks in robot-assisted surgery require planning and controlling manipulators' motions that interact with highly deformable objects. This study proposes a realistic, time-bounded simulator based on Position-based Dynamics (PBD)…
The elastic behavior of materials operating in the linear regime is constrained, by definition, to operations that are linear in the imposed deformation. Though the nonlinear regime holds promise for new functionality, the design in this…
The microstructural mechanisms governing energy storage during plastic deformation of twinning-induced plasticity (TWIP) steels remain insufficiently understood, particularly under conditions of strain localization. This study provides a…
Defects are inevitable during the manufacturing processes of materials. Presence of these defects and their dynamics significantly influence the responses of materials. A thorough understanding of dislocation dynamics of different types of…
A detailed understanding of the material response to rapid compression is challenging and demanding. For instance, the element gold under dynamic compression exhibits complex phase transformations where there exist some large discrepancies…
This study presents a computational framework to investigate and predict the complicated multiphase properties of eco-friendly lead-free piezoelectric materials, which are crucial for sustainable technological progress. Although their…
We demonstrate that the straightforward application of the Nudged Elastic Band (NEB) method does not determine the correct Peierls barrier of 1/2<111> screw dislocations in BCC metals. Although this method guarantees that the states…
Information of material deformation upon loading is critical to evaluate mechanical properties of materials in general, and key to understand fundamental mechano-stimuli induced response of live systems in particular. Conventionally, such…