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Predicting the dramatic changes in material properties caused by irradiation damage is key for the design of future nuclear fission and fusion reactors. Self-ion implantation is an attractive tool for mimicking the effects of neutron…

Computational Physics · Physics 2020-08-26 Suchandrima Das , Hongbing Yu , Kenichiro Mizohata , Edmund Tarleton , Felix Hofmann

We used nonequilibrium molecular dynamics simulations to study the shear deformation of metallic composites composed of alternating layers of Cu and Au. Our simulations reveal the formation of "vortices" or "swirls" if the bimaterial…

Materials Science · Physics 2020-01-15 Adrien Gola , Ruth Schwaiger , Peter Gumbsch , Lars Pastewka

We simulate the collision of atomic clusters with a weakly attractive surface using molecular dynamics in a regime between soft-landing and fragmentation, where the cluster undergoes large deformation but remains intact. As a function of…

Materials Science · Physics 2007-05-23 A. Awasthi , S. C. Hendy , P. Zoontjens , S. A. Brown

Defect reconstruction is essential in non-destructive testing and structural health monitoring with guided ultrasonic waves. This paper presents an algorithm for reconstructing notches in steel plates which can be seen as artificial defects…

Numerical Analysis · Mathematics 2023-06-06 Jannis Bulling , Benjamin Jurgelucks , Jens Prager , Andrea Walther

Crystal lattice deformations can be described microscopically by explicitly accounting for the position of atoms or macroscopically by continuum elasticity. In this work, we report on the description of continuous elastic fields derived…

Materials Science · Physics 2019-04-25 Marco Salvalaglio , Axel Voigt , Ken R. Elder

The sliding motion of objects is typically governed by their friction with the underlying surface. Compared to translational friction, however, rotational friction has received much less attention. Here, we experimentally and theoretically…

Soft Condensed Matter · Physics 2022-10-25 Xin Cao , Andrea Silva , Emanuele Panizon , Andrea Vanossi , Nicola Manini , Erio Tosatti , Clemens Bechinger

Indentation tests are largely exploited in experiments to characterize the mechanical and fracture properties of the materials from the resulting crack patterns. This work proposes an efficient theoretical and computational framework, whose…

Materials Science · Physics 2023-06-26 Maria Rosaria Marulli , Jacopo Bonari , Josè Reinoso , Marco Paggi

Nanocrystalline metals, i.e. metals in which the grain size is in the nanometer range, have a range of technologically interesting properties including increased hardness and yield strength. We present atomic-scale simulations of the…

Materials Science · Physics 2007-05-23 J. Schiøtz , T. Vegge , F. D. Di Tolla , K. W. Jacobsen

We describe a lattice-based crystallographic approximation for the analysis of distorted crystal structures via Electron Backscatter Diffraction (EBSD) in the scanning electron microscope. EBSD patterns are closely linked to local lattice…

Materials Science · Physics 2019-01-02 Aimo Winkelmann , Gert Nolze , Grzegorz Cios , Tomasz Tokarski

Deformation plasticity mechanisms in alloys and compounds may unveil the material capacity towards optimal mechanical properties. We conduct a series of molecular dynamics (MD) simulations to investigate plasticity mechanisms due to…

Materials Science · Physics 2023-08-24 F. J. Dominguez-Gutierrez , S. Papanikolaou , S. Bonfanti , M. J. Alava

Strain engineering enables the direct modification of the atomic bonding and is currently an active area of research aimed at improving the electrocatalytic activity. However, directly measuring the lattice strain of individual catalyst…

Materials Science · Physics 2020-04-28 Debangshu Mukherjee , Jocelyn T. L. Gamler , Sara E. Skrabalak , Raymond R. Unocic

We present an approach to robustly track the geometry of an object that deforms over time from a set of input point clouds captured from a single viewpoint. The deformations we consider are caused by applying forces to known locations on…

Computer Vision and Pattern Recognition · Computer Science 2015-03-31 Stefanie Wuhrer , Jochen Lang , Motahareh Tekieh , Chang Shu

Research on magnetic particles dispersed in a fluid medium, actuated by a rotating magnetic field, is becoming increasingly active for both lab-on-chip and bio-sensing applications. In this study, we experimentally investigate the behaviour…

Soft Condensed Matter · Physics 2020-02-25 Abdelqader Zaben , Guntars Kitenbergs , Andrejs Cēbers

Space charge layers (SCLs) at grain boundaries play a crucial role in modulating local electric fields and influencing the functional properties of materials, such as oxygen vacancy migration and ionic conductivity in oxide ceramics.…

The physics of sliding nanofriction at high temperature near the substrate melting point $\Tmelt$ is so far unexplored. We conducted simulations of hard tips sliding on a prototype non-melting surface, NaCl(100), revealing in this regime…

Materials Science · Physics 2007-05-23 T. Zykova-Timan , D. Ceresoli , E. Tosatti

Manipulating vortices in non-conventional superconductors is nowadays a challenging path toward controlling functionalities for superconducting nanodevices. Here, we directly observe and control single vortex core trajectories with…

The influence of lateral vibrations on the stick-slip motion of a nanotip elastically pulled on a flat crystal surface is studied by atomic force microscopy (AFM) measurements on a NaCl(001) surface in ultra-high vacuum. The slippage of the…

Mesoscale and Nanoscale Physics · Physics 2015-06-18 R. Roth , O. Y. Fajardo , J. J. Mazo , E. Meyer , E. Gnecco

(Abridged, full abstract available in the text) The main goal of the study presented in this thesis was to perform in-situ investigations on deformation structures in plastically deformed polycrystalline copper at low degrees (<5%) of…

Materials Science · Physics 2009-09-29 Bo Jakobsen

Topologically close packed phases, among them the $\mu$-phase studied here, are commonly considered as being hard and brittle due to their close packed and complex structure. Nanoindentation enables plastic deformation and therefore…

Materials Science · Physics 2019-02-05 Sebastian Schröders , Stefanie Sandlöbes , Benjamin Berkels , Sandra Korte-Kerzel

The crystal plasticity finite element method (CPFEM) is used to investigate the coupling between the cylindrical void growth or collapse and grain refinement in face-centered cubic (FCC) single crystals. A 2D plane strain model with one…

Materials Science · Physics 2023-07-06 Saketh Virupakshi , Katarzyna Kowalczyk-Gajewska