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Large-scale atomistic calculations, using empirical potentials for modeling semiconductors, have been performed on a stressed system with linear surface defects like steps. Although the elastic limits of systems with surface defects remain…

Materials Science · Physics 2007-09-12 Julien Godet , Laurent Pizzagalli , Sandrine Brochard , Pierre Beauchamp

In this work, we investigate the topological properties of knotted defects in smectic liquid crystals. Our story begins with screw dislocations, whose radial surface structure can be smoothly accommodated on $S^3$ for fibred knots by using…

Soft Condensed Matter · Physics 2025-06-16 Paul G. Severino , Randall D. Kamien , Benjamin Bode

High-entropy alloys (HEA) form solid solutions with large chemical disorder and excellent mechanical properties. We investigate the origin of HEA strengthening in face-centered cubic (FCC) single-phase HEAs through molecular dynamics…

Materials Science · Physics 2025-01-08 A. Esfandiarpour , S. Papanikolaou , M. Alava

Interactions among dislocations and solute atoms are the basis of several important processes in metals plasticity. In body-centered cubic (bcc) metals and alloys, low-temperature plastic flow is controlled by screw dislocation glide, which…

Materials Science · Physics 2018-04-18 Yue Zhao , Jaime Marian

The nature of mechanically induced dislocations in SrTiO3 at low temperatures has been a disputed matter for a long time. Here we provide a systematic overview of the existing knowledge on dislocations in stoichiometric SrTiO3 complemented…

Materials Science · Physics 2022-10-25 Arne J. Klomp , Lukas Porz , Karsten Albe

It is well known that grain boundaries (GBs) have a strong influence on mechanical properties of polycrystalline materials. Not as well-known is how different GBs interact with dislocations to influence dislocation movement. This work…

Materials Science · Physics 2020-05-06 Devin W Adams , David T Fullwood , Robert H Wagoner , Eric R Homer

The aim of this paper is to provide new results and insights for a screw dislocation in functionally graded media within the gauge theory of dislocations. We present the equations of motion for dislocations in inhomogeneous media. We…

Materials Science · Physics 2011-02-21 Markus Lazar

Plasticity in hexagonal close packed (HCP) metals and alloys such as Titanium (Ti) and Zirconium (Zr) is carried out by the motion of $\langle a \rangle$ dislocations. Above room temperature, in situ transmission electron microscopy…

Materials Science · Physics 2023-10-25 Ali Rida , Satish I. Rao , Jaafar A. El-Awady

We develop a model for the gliding of dislocations and plasticity in solid He-4. This model takes into account the Peierls barrier, multiplication and interaction of dislocations, as well as classical thermally and mechanically activated…

Dislocation-solute interaction plays fundamental roles in mechanical properties of alloys. Here, we disclose the essential features of dislocation-carbon interaction in austenitic Fe at the atomistic scale. We show that passage of a…

Materials Science · Physics 2020-01-20 Ruiwen Xie , Song Lu , Wei Li , Yanzhong Tian , Levente Vitos

Understanding plastic deformation of crystals in terms of the fundamental physics of dislocations has remained a grand challenge in materials science for decades. To overcome this, the Discrete Dislocation Dynamics (DDD) method has been…

Materials Science · Physics 2024-04-03 Nicolas Bertin , Wei Cai , Sylvie Aubry , Athanasios Arsenlis , Vasily V. Bulatov

In the continuum limit, the theory of dislocations in crystals predicts a divergence in the elastic energy of the host material at a crystal geometry dependent limiting (or critical) velocity $v_c$. Explicit expressions for $v_c$ are…

Materials Science · Physics 2023-01-19 Daniel N. Blaschke

The static stress needed to depin a 2D edge dislocation, the lower dynamic stress needed to keep it moving, its velocity and displacement vector profile are calculated from first principles. We use a simplified discrete model whose far…

Materials Science · Physics 2009-11-10 A. Carpio , L. L. Bonilla

The competition between deformation twinning and dislocation slip underpins the evolution of mesoscale plasticity in face-centered cubic materials. While competition between these mechanisms is known to be related to the critical features…

Materials Science · Physics 2025-09-18 Ritesh Jagatramka , Matthew Daly

The mobility of dislocations is an important factor in understanding material strength. Dislocations experience a drag due to their interaction with the crystal structure, the dominating contribution at high stress and temperature being the…

Materials Science · Physics 2018-12-03 Daniel N. Blaschke

In this paper we discuss the effect of a non-constant dislocation drag coefficient on the very high strain rate regime within an analytic model describing mobile-immobile dislocation intersections applicable to polycrystals. Based on…

Materials Science · Physics 2021-03-08 Daniel N. Blaschke , Abigail Hunter , Dean L. Preston

Continuum dislocation dynamics (CDD) has become the state-of-the-art theoretical approach for mesoscale dislocation plasticity of metals. Within this approach, there are multiple CDD theories that can all be derived from the principles of…

Materials Science · Physics 2026-04-13 Joseph Pierre Anderson , Anter El-Azab

High-density and nanosized deformation twins in face-centered cubic (fcc)materials can effectively improve the combination of strength and ductility. However, the microscopic dislocation mechanisms enabling a high twinnability remain…

Materials Science · Physics 2021-05-13 Song Lu , Xun Sun , Xianghai An , Wei Li , Yujie Chen , Hualei Zhang , Levente Vitos

An analysis of the processes of plastic deformation and acoustic relaxation in a high-entropy alloy Al$_{0.5}$CoCrCuFeNi was carried out. The following have been established: dominant dislocation defects; types of barriers that prevent the…

Materials Science · Physics 2024-07-04 Vasilij Natsik , Yurii Semerenko , Viktor Zoryansky

Plasticity in hexagonal close-packed zirconium is mainly controlled by the glide of dislocations with 1/3<1-210> Burgers vectors. As these dislocations cannot accommodate deformation in the [0001] direction , twinning or glide of <c+a>…

Materials Science · Physics 2020-09-07 Thomas Soyez , Daniel Caillard , Fabien Onimus , Emmanuel Clouet