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This work quantifies the effect of misfit and threading dislocations on the surface energies of PbTe-PbSe interfaces, with the defect structures of the interfaces being obtained from atomistic and multiscale simulations of their…

Materials Science · Physics 2026-03-05 Emir Bilgili , Nicholas Taormina , Yang Li , Adrian Diaz , Simon R. Phillpot , Youping Chen

A central goal of protein-folding theory is to predict the stochastic dynamics of transition paths --- the rare trajectories that transit between the folded and unfolded ensembles --- using only thermodynamic information, such as a…

Biomolecules · Quantitative Biology 2018-08-09 William M. Jacobs , Eugene I. Shakhnovich

We derive the variational formulation of a gradient damage model by applying the energetic formulation of rate-independent processes and obtain a regularized formulation of fracture. The model exhibits different behavior at traction and…

Numerical Analysis · Mathematics 2020-12-15 Mariela Luege , Antonio Orlando

We present a continuum model to determine the dislocation structure and energy of low angle grain boundaries in three dimensions. The equilibrium dislocation structure is obtained by minimizing the grain boundary energy that is associated…

Materials Science · Physics 2021-11-08 Xiaoxue Qin , Yejun Gu , Luchan Zhang , Yang Xiang

The dynamics of mechanical systems such as turbomachinery with multiple blades are often modeled by arrays of periodically driven coupled nonlinear oscillators. It is known that such systems may have multiple stable vibrational modes, and…

Chaotic Dynamics · Physics 2022-12-06 Lautaro Cilenti , Maria Cameron , Balakumar Balachandran

The purpose of this paper is to report some new experimental and theoretical results about the analysis of in-plane lattice spacing oscillations during two-dimensional (2D) homo and hetero epitaxial growth. The physical origin of these…

Materials Science · Physics 2015-05-13 P. Muller , P. turban , L. Lapena , S. Andrieu

Plastic deformation of crystalline and amorphous matter often involves intermittent local strain burst events. To understand the physical background of the phenomenon a minimal stochastic mesoscopic model was introduced, where…

Materials Science · Physics 2017-02-15 Péter Dusán Ispánovity , Dániel Tüzes , Péter Szabó , Michael Zaiser , István Groma

We examine the dynamics of a compressible active nematic liquid crystal on a frictional substrate. When frictional damping dominates over viscous dissipation, we eliminate flow in favor of active stresses to obtain a minimal dynamical model…

Soft Condensed Matter · Physics 2016-11-07 Pragya Srivastava , Prashant Mishra , M. Cristina Marchetti

We present a time-dependent Ginzburg-Landau model of nonlinear elasticity in solid materials. We assume that the elastic energy density is a periodic function of the shear and tetragonal strains owing to the underlying lattice structure.…

Statistical Mechanics · Physics 2009-11-10 Akira Onuki , Akira Furukawa , Akihiko Minam

Molecular dynamics (MD) simulations were performed to investigate the influence of mechanical strain on irradiation-induced defect and dislocation evolution in nickel single crystals subjected to cumulative overlapping 5 keV collision…

We investigate the fragmentation dynamics of an atomic chain under tensile stress. We have classified the location, stability type (indices) and energy of all equilibria for the general $n$-particle chain, and have highlighted the…

Chaotic Dynamics · Physics 2012-12-13 F. A. L. Mauguiere , P. Collins , G. S. Ezra , S. Wiggins

A continuum model of dislocation pileups that takes the self-energy of dislocations into account is proposed. An analytical solution describing the distribution of dislocations in equilibrium is found from the energy minimization. Based on…

Materials Science · Physics 2015-06-12 Khanh Chau Le

A long-standing discrepancy exists between experiments and atomistic models concerning the critical strain needed for surface nucleation of dislocations in silicon-germanium systems. While dislocation nucleation is readily observed in…

Applied Physics · Physics 2018-06-11 Xiaohan Zhang , Wei Cai

Strain fields, dislocations and defects may be used to control electronic properties of graphene. By using advanced imaging techniques with high-resolution transmission electron microscopes, we have measured the strain and rotation fields…

Mesoscale and Nanoscale Physics · Physics 2015-10-20 L. L. Bonilla , A. Carpio , C. Gong , J. H. Warner

We derive an expression of the core traction contribution to the dislocation elastic energy within linear anisotropic elasticity theory using the sextic formalism. With this contribution, the elastic energy is a state variable consistent…

Materials Science · Physics 2009-06-30 Emmanuel Clouet

The interplay between bending of the molecule axis and appearance of disruptions in circular DNA molecules, with $\sim 100$ base pairs, is addressed. Three minicircles with different radii and almost equal content of AT and GC pairs are…

Soft Condensed Matter · Physics 2014-06-03 Marco Zoli

In the absence of external driving, a system exposed to thermal fluctuations will relax to equilibrium. However, the constant input of work makes it possible to counteract this relaxation, and maintain the system in a nonequilibrium steady…

Statistical Mechanics · Physics 2017-07-04 Jordan M. Horowitz , Kevin Zhou , Jeremy L. England

We propose nonlinear semi-discrete and discrete models for the elastic energy induced by a finite systems of edge dislocations in two dimensions. Within the dilute regime, we analyze the asymptotic behavior of the nonlinear elastic energy,…

Analysis of PDEs · Mathematics 2023-05-04 Roberto Alicandro , Lucia De Luca , Mariapia Palombaro , Marcello Ponsiglione

A simplified transient energy-transport system for semiconductors subject to mixed Dirichlet-Neumann boundary conditions is analyzed. The model is formally derived from the non-isothermal hydrodynamic equations in a particular vanishing…

Analysis of PDEs · Mathematics 2012-06-26 Ansgar Jüngel , René Pinnau , Elisa Röhrig

Differential growth processes play a prominent role in shaping leaves and biological tissues. Using both analytical and numerical calculations, we consider the shapes of closed, elastic strips which have been subjected to an inhomogeneous…

Materials Science · Physics 2011-01-19 Bryan Gin-ge Chen , Christian D. Santangelo