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The intersection between dislocations and a Ag(111) surface has been studied using an interplay of scanning tunneling microscopy (STM) and molecular dynamics (MD). Whereas the STM provides atomically resolved information about the surface…

Nanoindentation, a common technique for probing the mechanical properties of crystalline materials, exhibits both surface and bulk-dominated responses that are linked to the parent crystal's elasticity and plasticity. For FCC crystals, the…

We report results of large-scale molecular-dynamics (MD) simulations of dynamic deformation under biaxial tensile strain of pre-strained single-crystalline nanometer-scale-thick face-centered cubic (fcc) copper films. Our results show that…

材料科学 · 物理学 2015-05-13 Kedarnath Kolluri , M. Rauf Gungor , Dimitrios Maroudas

(a+c) dislocations in hexagonal materials are typically observed to be dissociated into partial dislocations. Edge (a+c) dislocations are introduced into (0001) nitride semiconductor layers by the process of plastic relaxation. As there is…

In order to predict the long-term effects of irradiation on the material properties of tungsten, a continuum approach to simulating the interactions of dislocation loops, which arise from radiation damage, is proposed. Continuum models of…

材料科学 · 物理学 2026-04-20 Joseph Duque Lopez , Sergei Dudarev , James Kermode , Thomas Hudson

Dislocations in crystalline materials are widely exploited to tailor the thermal conductivity of semiconductors and thermoelectrics, yet a critical gap persists: direct measurement of local thermal resistance at individual buried…

We use new equations for the interstitial impurity diffusion fluxes under strain to study impurity atom redistribution in the vicinity of dislocations. Two levels of simulation are applied. The first one is evaluation of coefficients that…

材料科学 · 物理学 2016-06-22 A. V. Nazarov , A. A. Mikheev , I. V. Ershova , A. G. Zaluzhnyi

Defect microstructures formed in ion-irradiated metals, for example iron or tungsten, often exhibit patterns of spatially ordered nano-scale dislocation loops. We show that such ordered dislocation loop structures may form spontaneously as…

材料科学 · 物理学 2014-07-18 S. L. Dudarev , K. Arakawa , X. Yi , Z. Yao , M. L. Jenkins , M. R. Gilbert , P. M. Derlet

We performed molecular dynamics simulations to investigate the mechanical response of face-centered cubic (FCC) nickel under uniaxial compression and nanoindentation using traditional interatomic potentials, including the Embedded Atom…

材料科学 · 物理学 2025-03-06 K. Cichocki , F. J. Dominguez-Gutierrez , L. Kurpaska , K. Muszka

Additive manufacturing (AM) by laser powder bed fusion (L-PBF) leads to the formation of a rich, hierarchical microstructure, including dislocation cell structures and elemental segregation. This structure has profound impacts on the…

材料科学 · 物理学 2021-12-16 Mengkun Tian , Jahnavi Desai Choundraj , Thomas Voisin , Y. Morris Wang , Josh Kacher

Nanoindentation was carried out on pure tungsten carbide (WC) on the basal (0001) and prismatic (1010) planes, using Berkovich and spherical indenters, in both single load and multi-load testing. The work focuses on correlating the…

材料科学 · 物理学 2022-01-10 Hannah Zhang , Francois De Luca , Haibin Wang , Ken Mingard , Mark Gee

Using _in situ_ transmission electron microscopy (TEM), we have observed nanometre scale dislocation loops formed when an ultra-high-purity tungsten foil is irradiated with a very low fluence of self-ions. Analysis of the TEM images has…

材料科学 · 物理学 2016-12-14 D R Mason , X Yi , M A Kirk , S L Dudarev

Although titanium nitride (TiN) is among the most extensively studied and thoroughly characterized thin-film ceramic materials, detailed knowledge of relevant dislocation core structures is lacking. By high-resolution scanning transmission…

In this paper, we investigate the residual deformation field in the vicinity of nano-scratch tests using two orientations of a Berkovich tip on an (001) Cu single crystal. We compare the deformation with that from indentation, in an attempt…

Validating dislocation patterning models against in situ imaging experiments is a longstanding goal in materials physics. Here, we provide the first direct morphological comparison of such models. Using in situ Dark-Field X-ray Microscopy…

Understanding the evolution of dislocation structures during plastic deformation is critical for predicting the mechanical performance of metallic materials. In this work, we applied in situ scanning electron microscopy/electron backscatter…

材料科学 · 物理学 2026-03-24 Mikhail Lebyodkin , Maxim Gussev , Jamieson Brechtl , Tatiana Lebedkina

We investigate the effect of a crystal edge dislocation on the metallic surface of a Topological Insulator. The edge dislocation gives rise to torsion which the electrons experience as a spin connection. As a result the electrons propagate…

介观与纳米尺度物理 · 物理学 2011-10-31 D. Schmeltzer

Recently, a dislocation free deformation mechanism was proposed by Kiritani et al., based on a series of experiments where thin foils of fcc metals were deformed at very high strain rates. In the experimental study, they observed a large…

材料科学 · 物理学 2015-06-24 J. Schiøtz , T. Leffers , B. N. Singh

In a crystalline solid under mechanical stress, a Frank-Read source is a pinned dislocation segment that repeatedly bows and detaches, generating concentric dislocation loops. We demonstrate that in nematic liquid crystals, an analogous…

We clarify via molecular dynamic simulations and theoretical analysis the origin of dislocation creation and void nucleation during uniaxial tensile process in face-centered-cubic (FCC) ductile metals. We show that the dislocations are…

材料科学 · 物理学 2013-05-08 Wei-Wei Pang , Ping Zhang , Guang-Cai Zhang , Ai-Guo Xu , Xian-Geng Zhao
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