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The role of a simple surface defect, such as a step, for relaxing the stress applied to a semiconductor, has been investigated by means of large scale first principles calculations. Our results indicate that the step is the privileged site…

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

A novel explanation of the quasielastic release phenomenon in shock compressed aluminum is presented. A dislocation-based model, taking into account dislocation substructures and evolution, is applied to simulate the elastic plastic…

Materials Science · Physics 2017-02-01 Song-Lin Yao , Xiao-Yang Pei , Ji-Dong Yu , Jing-Song Bai , Qiang Wu

Using molecular dynamics based on Langevin equations with a coordinate- and velocity-dependent damping coefficient, we study the frictional properties of a thin layer of "soft" lubricant (where the interaction within the lubricant is weaker…

Statistical Mechanics · Physics 2015-05-20 O. M. Braun , Nicola Manini

Using nonequilibrium computer simulations, we study the response of ferromagnetic nanofilaments, consisting of stabilized onedimensional chains of ferromagnetic nanoparticles, under external rotating magnetic fields. In difference with…

Soft Condensed Matter · Physics 2024-10-07 Pedro A. Sánchez , Antonio Cerrato , Joan J. Cerdà , Carles Bona-Cases , Tomás Sintes , Joan Massó

Energy dissipation by fast crystalline defects takes place mainly through the resonant interaction of their cores with periodic lattice. We show that the resultant effective friction can be reduced to zero by appropriately tuned acoustic…

Mesoscale and Nanoscale Physics · Physics 2020-11-11 N. Gorbushin , G. Mishuris , L. Truskinovsky

Considering the dynamics of non-interacting particles randomly moving on a lattice, the occurrence of a discontinuous transition in the values of the lattice parameters (lattice spacing and hopping times) determines the uprisal of two…

Statistical Mechanics · Physics 2019-07-24 Massimiliano Giona , Davide Cocco

Quick clay is a highly sensitive soil that transforms rapidly from solid to liquid under minor stress, as a result of long-term salt leaching that drastically reduces shear strength. Stabilizing it is both costly and carbon-intensive,…

Geophysics · Physics 2025-07-22 Ge Li , Astrid S. de Wijn

Dependence of frequency spectra of the lattice oscillations of organic nano-crystals on temperature is studied at presence of vacancies in structure. In a frequency spectrum a number of additional lines monotonously changing with…

Soft Condensed Matter · Physics 2007-09-19 M. A. Korshunov

The measured low frequency vibrational energies of some quantum dots (QDs) deviate from the predictions of traditional elastic continuum models. Recent experiments have revealed that these deviations can be tuned by changing the ligands…

Chemical Physics · Physics 2017-09-13 Elizabeth M. Y. Lee , A. Jolene Mork , Adam P. Willard , William A. Tisdale

Confinement breaks the translational symmetry of materials. Such symmetry breaking can be used to obtain configurations that are not otherwise accessible in the bulk. Here, we explore the effect of substrate-liquid interactions on the…

Statistical Mechanics · Physics 2015-12-03 Amir Haji-Akbari , Pablo G. Debenedetti

Friction is a ubiquitous phenomenon that greatly affects our everyday lives and is responsible for large amounts of energy loss in industrialised societies. Layered materials such as graphene have interesting frictional properties and are…

Applied Physics · Physics 2020-02-04 David Andersson , Astrid S. de Wijn

The computational method of discrete dislocation dynamics (DDD), used as a coarse-grained model of true atomistic dynamics of lattice dislocations, has become of powerful tool to study metal plasticity arising from the collective behavior…

Materials Science · Physics 2023-09-27 Nicolas Bertin , Vasily V. Bulatov , Fei Zhou

Dislocation-mediated plastic deformation in ceramic materials has sparked renewed research interest due to the technological potential of dislocations. Despite the long research history of dislocations as one-dimensional lattice defects in…

In this paper, we study the slow patterns of multilayer dislocation dynamics modeled by a multiscale parabolic equation in the half-plane coupled with a dynamic boundary condition on the interface. We focus on the influence of bulk dynamics…

Analysis of PDEs · Mathematics 2025-02-11 Yuan Gao , Stefania Patrizi

Linear complexions are stable defect states that form along dislocations and recent experiments have demonstrated strengthening effects exceeding classical precipitation hardening predictions, motivating a detailed study of nanoscale…

Materials Science · Physics 2026-04-15 Zhengyu Zhang , Daniel S. Gianola , Timothy J. Rupert

Theoretical description of oscillations of electron liquid in large metallic nanospheres (with radius of few tens nm) is formulated within random-phase-approximation semiclassical scheme. Spectrum of plasmons is determined including both…

Mesoscale and Nanoscale Physics · Physics 2015-05-14 W. Jacak , J. Krasnyj , J. Jacak , R. Gonczarek , A. Chepok , L. Jacak , D. Z. Hu , D. Schaadt

We study a model of self propelled particles exhibiting run and tumble dynamics on lattice. This non-Brownian diffusion is characterised by a random walk with a finite persistence length between changes of direction, and is inspired by the…

Statistical Mechanics · Physics 2015-03-17 A. G. Thompson , J. Tailleur , M. E. Cates , R. A. Blythe

This work presents a general thermodynamic approach to describe particle diffusion on a lattice, a model used to study transport processes in solids and on surfaces. By treating each lattice site as an open thermodynamic system, the effects…

Statistical Mechanics · Physics 2026-05-05 Matías A. Di Muro , Miguel Hoyuelos

We consider self-avoiding lattice polygons, in the hypercubic lattice, as a model of a ring polymer adsorbed at a surface and either being desorbed by the action of a force, or pushed towards the surface. We show that, when there is no…

Statistical Mechanics · Physics 2018-02-14 AJ Guttmann , EJ Janse van Rensburg , I Jensen , SG Whittington

Droplet motion over a surface with wettability gradient has been simulated using molecular dynamics (MD) simulation to highlight the underlying physics. GROMACS and Visual Molecular Dynamics (VMD) were used for simulation and intermittent…

Fluid Dynamics · Physics 2015-04-13 Monojit Chakraborty , Anamika Chowdhury , Richa Bhusan , Sunando DasGupta