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Article
Hierarchically structured bioinspired nanocomposites
Next-generation structural materials are expected to be lightweight, high-strength and tough composites with embedded functionalities to sense, adapt, self-repair, morph and restore. This Review highlights rec...
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Article
Open AccessAuthor Correction: Strain rate dependency of dislocation plasticity
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Article
Open AccessStrain rate dependency of dislocation plasticity
Dislocation glide is a general deformation mode, governing the strength of metals. Via discrete dislocation dynamics and molecular dynamics simulations, we investigate the strain rate and dislocation density d...
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Article
Machine Learning of Dislocation-Induced Stress Fields and Interaction Forces
In discrete dislocation dynamics (DDD) simulations dislocation-induced stress fields and dislocation–dislocation interaction forces are typically evaluated using analytically described multiparameter continuou...
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Article
Open AccessStatistics of dislocation avalanches in FCC and BCC metals: dislocation mechanisms and mean swept distances across microsample sizes and temperatures
Plastic deformation in crystalline materials consists of an ensemble of collective dislocation glide processes, which lead to strain burst emissions in micro-scale samples. To unravel the combined role of crys...
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Article
Open AccessTheoretical framework for predicting solute concentrations and solute-induced stresses in finite volumes with arbitrary elastic fields
A theoretical model for computing the interstitial solute concentration and the interstitial solute-induced stress field in a three-dimensional finite medium with any arbitrary elastic fields was developed. Th...
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Chapter
Multiscale Modeling of Epoxies and Epoxy-Based Composites
Epoxies play an important role in determining the performance of epoxy-based composites, coatings, and adhesives. Multiscale modeling methods emerge as a complementary tool to conventional experimental and the...
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Article
Effect of temperature on the suppression of twinning in textured magnesium
In this work, the effect of temperature, in the range of 25 to 250 °C, on deformation twinning in textured polycrystalline pure magnesium (Mg) was investigated. Compression loading was applied perpendicular to...
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Article
Intrinsic and extrinsic size effects in materials
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Article
Alloy design for mechanical properties: Conquering the length scales
Predicting the structural response of advanced multiphase alloys and understanding the underlying microscopic mechanisms that are responsible for it are two critically important roles that modeling plays in al...
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Chapter and Conference Paper
The Effect of the Orientation of Second-Order Pyramidal <c + a > Dislocations on Plastic Flow in Magnesium
In this study, atomistic simulations are utilized to quantify the effect of the \( \langle c + a\rangle \) dislocation orientation on the critical resolved shear stress and mechanism of glide on second-order...
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Chapter and Conference Paper
Hardening Effects of Precipitates with Different Shapes on the Twinning in Magnesium Alloys
(MD) simulations were performed to quantify the effect of the on the interactions with extension twin boundaries in . Three precipitate shapes, including plate-, cube- and rod-like, were studied. The sim...
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Article
Atomistic Simulations of Carbon and Hydrogen Diffusion and Segregation in Alfa-Iron Deviant CSL Grain Boundaries
Polycrystalline materials’ mechanical properties and failure modes depend on many factors that include diffusion and segregation of different alloying elements and solutes as well as the structure of its grain...
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Article
Impact of angular deviation from coincidence site lattice grain boundaries on hydrogen segregation and diffusion in α-iron
Coincidence site lattice (CSL) grain boundaries (GBs) are believed to be low-energy, resistant to intergranular fracture, as well as to hydrogen embrittlement. Nevertheless, the behavior of CSL-GBs are general...
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Chapter and Conference Paper
Atomistic Simulations of Carbon Diffusion and Segregation in α-Iron Grain Boundaries
Polycrystalline materials’ mechanical properties and failure modes depend on many factors that include segregation of different alloying elements as well as its grain boundaries (GBs) structure. Understanding ...
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Chapter
Advances in Discrete Dislocation Dynamics Modeling of Size-Affected Plasticity
In dislocation-mediated plasticity of crystalline materials, discrete dislocation dynamics (DDD) methods have been widely used to predict the plastic deformation in a number of technologically important proble...
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Article
Discrete dislocation dynamics simulations of twin size-effects in magnesium
A dislocation- \(\left\{ {10\bar 12} \right\}\) twin boundary (TB) interaction model was proposed and introduced into discrete d...
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Article
Open AccessUnravelling the physics of size-dependent dislocation-mediated plasticity
Size-affected dislocation-mediated plasticity is important in a wide range of materials and technologies. Here we develop a generalized size-dependent dislocation-based model that predicts strength as a functi...
