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We employ the recently introduced generalized microcanonical inflection point method for the statistical analysis of phase transitions in flexible and semiflexible polymers and study the impact of the bending stiffness upon the character…

Soft Condensed Matter · Physics 2022-12-05 Dilimulati Aierken , Michael Bachmann

Strain-based theory on elastic instabilities is being widely employed for studying onset of plasticity, phase transition or melting in crystals. And size effects, observed in nano-materials or solids under dynamic loadings, needs to account…

Materials Science · Physics 2017-07-20 Kun Wang , Jun Chen , Wenjun Zhu , Meizhen Xiang

We present a methodology to simulate the mechanics of knots in elastic rods using geometrically nonlinear, full three-dimensional (3D) finite element analysis. We focus on the mechanical behavior of knots in tight configurations, for which…

Soft Condensed Matter · Physics 2021-02-03 Changyeob Baek , Paul Johanns , Tomohiko G. Sano , Paul Grandgeorge , Pedro M. Reis

Accurate analysis of plastic strain accumulation under stress-controlled cyclic loading is vital for numerous engineering applications. Typically, models of plastic ratcheting are calibrated against available experimental data. Since actual…

Computational Engineering, Finance, and Science · Computer Science 2021-05-06 A. A. Kaygorodtseva , A. V. Shutov

We present results of a simulation study of inelastic hard-disks vibrated in a vertical container. An Event-Driven Molecular Dynamics method is developed for studying the onset of convection. Varying the relevant parameters (inelasticity,…

Statistical Mechanics · Physics 2016-08-31 Daniela Paolotti , Alain Barrat , Umberto Marini Bettolo Marconi , Andrea Puglisi

This paper presents a comprehensive computational framework for investigating thermo-elastic fracture in transversely isotropic materials, where classical linear elasticity fails to predict physically realistic behavior near stress…

Numerical Analysis · Mathematics 2025-10-08 Saugata Ghosh , Dambaru Bhatta , S. M. Mallikarjunaiah

This work presents a modeling framework to represent the thermomechanical behavior of complex materials based on micromechanical dynamics. The framework is applied to nuclear fuel rod elements composed of Zircaloy-2 cladding tubes and…

Computational Physics · Physics 2025-10-16 Fabrizio Aguzzi , Martín Armoa , Santiago M. Rabazzi , César Pairetti , Alejandro Albanesi

A discrete model describing defects in crystal lattices and having the standard linear anisotropic elasticity as its continuum limit is proposed. The main ingredients entering the model are the elastic stiffness constants of the material…

Materials Science · Physics 2007-05-23 A. Carpio , L. L. Bonilla

Dynamics of a polymer chain in solution gets significantly affected by the temperature and the frictional forces arising due to solvent viscosity. Here, using an explicit solvent framework for polymer simulation with the liberty to tune the…

Soft Condensed Matter · Physics 2024-09-11 Suman Majumder , Henrik Christiansen , Wolfhard Janke

We present a multi-scale computational framework suitable for designing solid lubricant interfaces fully in silico. The approach is based on stochastic thermodynamics founded on the classical thermally activated two-dimensional…

Materials Science · Physics 2022-04-27 Paola C. Torche , Andrea Silva , Denis Kramer , Tomas Polcar , Ondrej Hovorka

Numerical simulations of concrete fracture performed with a probabilistic mesoscale discrete model are presented. The model represents a substantial part of material randomness by assigning random locations to the largest aggregates. The…

Computational Engineering, Finance, and Science · Computer Science 2022-08-05 Jan Eliáš , Miroslav Vořechovský

We describe a 2D spring-block model for the transition from static to kinetic friction at an elastic slider/rigid substrate interface obeying a minimalistic friction law (Amontons-Coulomb). By using realistic boundary conditions, a number…

We investigate the jamming transition in packings of emulsions and granular materials via molecular dynamics simulations. The emulsion model is composed of frictionless droplets interacting via nonlinear normal forces obtained using…

Soft Condensed Matter · Physics 2009-11-11 H. P. Zhang , H. A. Makse

This paper introduces a new technique for learning probabilistic models of mass and friction distributions of unknown objects, and performing robust sliding actions by using the learned models. The proposed method is executed in two…

Robotics · Computer Science 2020-08-06 Changkyu Song , Abdeslam Boularias

Accurately predicting friction in sliding interfaces that contain third body wear particles is critical for engineering applications such as sliding movement in pistons, bearings, or metal forming. We present a hierarchical multiscale…

Soft polymers are ubiquitous materials in nature and as engineering materials with properties varying from rate-independent to rate-dependent. Current fracture toughness measures are non-unique for rate-dependent soft materials for varying…

Soft Condensed Matter · Physics 2026-03-17 Aditya Konale , Vikas Srivastava

Accurately predicting when and how materials fail is critical to designing safe, reliable structures, mechanical systems, and engineered components that operate under stress. Yet, fracture behavior remains difficult to model across the…

We study a class of models for brittle fracture: elastic theory models which allow for cracks but not for plastic flow. We show that these models exhibit, at all finite temperatures, a transition to fracture under applied load similar to…

Materials Science · Physics 2009-10-28 Alex Buchel , James P. Sethna

Machine-learning interatomic potentials (MLIPs) offer a powerful avenue for simulations beyond length and timescales of ab initio methods. Their development for investigation of mechanical properties and fracture, however, is far from…

By using the blob theory and computer simulations, we investigate the properties of a linear polymer performing a stationary rotational motion around a long impenetrable rod. In particular, in the simulations the rotation is induced by a…

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