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Faces-classes of grains, often referred to as topological features, largely dictate the evolution of polycrystalline microstructures during grain growth. Realising these topological features is generally an arduous task, often demanding…

Materials Science · Physics 2023-01-02 Mridhula Venkatanarayanan , P G Kubendran Amos

Coherent diffraction imaging enables the imaging of individual defects, such as dislocations or stacking faults, in materials.These defects and their surrounding elastic strain fields have a critical influence on the macroscopic properties…

Thermodynamic dislocation theory incorporating dislocation impediment by the grain boundaries is developed to analyze the shear test of polycrystals. With a small set of physics based material parameters, we are able to simulate the…

Materials Science · Physics 2021-04-13 Yinguang Piao , Khanh Chau Le

In this paper we derive a line tension model for dislocations in 3d starting from a geometrically nonlinear elastic energy with quadratic growth. In the asymptotic analysis, as the amplitude of the Burgers vectors (proportional to the…

Analysis of PDEs · Mathematics 2020-04-07 Adriana Garroni , Roberta Marziani , Riccardo Scala

Atomic level defects such as dislocations play key roles in determining the macroscopic properties of crystalline materials. Their effects are important and wide-reaching, and range from increased chemical reactivity to enhanced mechanical…

The kinetics of dislocations is studied with computer simulation at loadings of different intensity. It is established that the dislocations have a few different structural states. The dislocations "with the micropore" play important role…

Materials Science · Physics 2007-05-23 L. S. Metlov

Dislocations in perovskite oxides have important impacts on their physical and chemical properties, which are determined by their unique atomic environments. In the present study, the structure of dislocations in a 10{\deg} low-angle grain…

Materials Science · Physics 2020-01-08 Xujing Li , Shulin Chen , Mingqiang Li , Jingmin Zhang , Xiumei Ma , Kaihui Liu , Xuedong Bai , Peng Gao

Grain boundaries can exist as different grain boundary phases (also called complexions) with individual atomic structures. The thermodynamics of these defect phases in high-angle grain boundaries were studied mostly with atomistic and phase…

Equations for dislocation evolution bridge the gap between dislocation properties and continuum descriptions of plastic behavior of crystalline materials. Computer simulations can help us verify these evolution equations and find their…

Materials Science · Physics 2020-11-11 Kamyar M. Davoudi , Joost J. Vlassak

Strain relief in lattice mismatched heteroepitaxy is mediated by formation and/or propagation of dislocations. Due to their technological significance, the process of strain relief in materials with face-centred cubic (fcc) lattices has…

Materials Science · Physics 2007-05-23 Atul Konkar

Polar discontinuities and structural changes at oxide interfaces can give rise to a large variety of electronic and ionic phenomena. Related effects have been intensively studied in epitaxial systems, including ferroelectric domain walls…

Crystalline materials deform in an intermittent way via dislocation-slip avalanches. Below a critical stress, the dislocations are jammed within their glide plane due to long-range elastic interactions and the material exhibits plastic…

Soft Condensed Matter · Physics 2015-05-20 Georgios Tsekenis , Nigel Goldenfeld , Karin A. Dahmen

Two-dimensional (2D) Janus Transition Metal Dichalcogenides (TMDs) have attracted much interest due to their exciting quantum properties arising from their unique two-faced structure, broken-mirror symmetry, and consequent colossal…

Plastic deformation in polycrystals is governed by the interplay between intra-granular slip and grain boundary-mediated plasticity. However, while the role played by bulk dislocations is relatively well-understood, the contribution of…

Materials Science · Physics 2017-10-02 Nikhil Chandra Admal , Giacomo Po , Jaime Marian

Grain boundaries (GBs) merge and grains disappear during microstructure evolution. However, the Peach-Koehler model predicts that particular stress states may reverse such a process by exerting differential Peach-Koehler forces on different…

Materials Science · Physics 2025-09-04 Wei Wan , Changxin Tang , Eric R Homer

We derive a simple analytical line integral expression for the relaxation volume tensor of an arbitrary interconnected dislocation network. This quantity determines the magnitude of dislocation contribution to the dimensional changes and…

Materials Science · Physics 2022-10-13 Max Boleininger , Sergei L. Dudarev , Daniel R. Mason , Enrique Martínez

During the course of evolution, an organism's genome can undergo changes that affect the large-scale structure of the genome. These changes include gene gain, loss, duplication, chromosome fusion, fission, and rearrangement. When gene gain…

Genomics · Quantitative Biology 2012-07-31 Birte Kehr , Knut Reinert , Aaron E. Darling

Coarse-grained, metallic materials undergo microstructure refinement during tribological loading. This in turn results in changing tribological properties, so understanding deformation under tribological load is mandatory when designing…

The quasicontinuum method is used to simulate three-dimensional Lomer-Cottrell junctions both in the absence and in the presence of an applied stress. The simulations show that this type of junction is destroyed by an unzipping mechanism in…

Materials Science · Physics 2016-08-31 D. Rodney , R. Phillips

Many environmental, energy, and industrial processes involve the flow of polymer solutions in three-dimensional (3D) porous media where fluid is confined to navigate through complex pore space geometries. As polymers are transported through…

Fluid Dynamics · Physics 2024-12-05 Emily Y. Chen , Christopher A. Browne , Simon J. Haward , Amy Q. Shen , Sujit S. Datta
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