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Herein, we investigate the structural, electronic and mechanical properties of zigzag graphene nanoribbons upon the presence of stress applying Density Functional Theory within the GGA-PBE approximation. The uniaxial stress is applied along…

Materials Science · Physics 2015-05-13 Ricardo Faccio , Pablo A. Denis , Helena Pardo , Cecilia Goyenola , Alvaro W. Mombru

We use a multiscale procedure to derive a simple continuum model of multiwalled carbon nanotubes that takes into account both strong covalent bonds within graphene layers and weak bonds between atoms in different layers. The model predicts…

Materials Science · Physics 2008-06-09 Dmitry Golovaty , Shannon Talbott

This paper presents an integrated model-free data-driven approach to solid mechanics, allowing to perform numerical simulations on structures on the basis of measures of displacement fields on representative samples, without postulating a…

Computational Engineering, Finance, and Science · Computer Science 2019-06-20 Laurent Stainier , Adrien Leygue , Michael Ortiz

This work presents a three-dimensional constitutive model for shape memory alloys considering the TRansformation-Induced Plasticity (TRIP) as well as the Two-Way Shape Memory Effect (TWSME) through a large deformation framework. The…

Materials Science · Physics 2020-01-15 Lei Xu , Alexandros Solomou , Theocharis Baxevanis , Dimitris Lagoudas

Fatigue simulation requires accurate modeling of unloading and reloading. However, classical ductile damage models treat deformations after complete failure as irrecoverable -- which leads to unphysical behavior during unloading. This…

Computational Engineering, Finance, and Science · Computer Science 2023-12-06 Leon Herrmann , Alireza Daneshyar , Stefan Kollmannsberger

A mathematical model is developed to analyze the growth/decay rate of surface perturbations of an ultrathin metal film on an amorphous substrate (SiO_{2}). The formulation combines the approach of Mullins [J. Appl. Phys. v30, 77, 1959] for…

Materials Science · Physics 2015-06-25 Christopher Favazza , Ramki Kalyanaraman , Radhakrishna Sureshkumar

We investigate the response of multi-walled carbon nanotubes to mechanical strain applied with an Atomic Force Microscope (AFM) probe. We find that in some samples, changes in the contact resistance dominate the measured resistance change.…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 S. Paulson , M. R. Falvo , N. Snider , A. Helser , T. Hudson , A. Seeger , R. M. Taylor , R. Superfine , S. Washburn

We use molecular dynamics simulations to study the diffusion of water inside deformed carbon nanotubes, with different degrees of eccentricity at 300K. We found a water structural transition between tubular-like to single-file for the (7,7)…

The three-dimensional elastic-plastic deformation is considered. The catastrophe theory underlies the construction of this process model. It was shown that the variety of stable states consists on elastic states and can be depicted as a…

Materials Science · Physics 2007-05-23 L. N. Maurin , I. S. Tikhomirova

Compression experiments are widely used to study the mechanical properties of materials at micro- and nanoscale. However, the conventional engineering stress measurement method used in these experiments neglects to account for the…

Materials Science · Physics 2025-07-24 Jalal Smiri , Oguz Umut Salman , Matteo Ghidelli , Ioan R. Ionescu

Plasticity modelling has long been based on phenomenological models based on ad-hoc assuption of constitutive relations, which are then fitted to limited data. Other work is based on the consideration of physical mechanisms which seek to…

Materials Science · Physics 2022-06-06 Stefan Hiemer , Haidong Fan , Michael Zaiser

Designing and fabricating structures with specific mechanical properties requires understanding the intricate relationship between design parameters and performance. Understanding the design-performance relationship becomes increasingly…

Graphics · Computer Science 2024-08-28 Samuel Silverman , Kelsey L. Snapp , Keith A. Brown , Emily Whiting

Many engineering applications of Shape Memory Alloys (SMAs) involve passing back and forth through phase transformation many times. Repeated phase transformation develops permanent deformations originating from the significant distortion…

Materials Science · Physics 2018-12-20 Lei Xu , Theocharis Baxevanis , Dimitris Lagoudas

Human-robot co-manipulation of soft materials, such as fabrics, composites, and sheets of paper/cardboard, is a challenging operation that presents several relevant industrial applications. Estimating the deformation state of the…

Robotics · Computer Science 2023-08-09 Giorgio Nicola , Enrico Villagrossi , Nicola Pedrocchi

Developing materials with tailored mechanical performance requires iteration over a large number of proposed designs. When considering dynamic fracture, experiments at every iteration are usually infeasible. While high-fidelity,…

Materials Science · Physics 2025-10-28 Indrashish Saha , Lori Graham-Brady

The calibration of solid constitutive models with full-field experimental data is a long-standing challenge, especially in materials which undergo large deformation. In this paper, we propose a physics-informed deep-learning framework for…

Machine Learning · Computer Science 2022-04-01 Craig M. Hamel , Kevin N. Long , Sharlotte L. B. Kramer

A free-falling absorbing liquid drop hit by a nanosecond laser-pulse experiences a strong recoil-pressure kick. As a consequence, the drop propels forward and deforms into a thin sheet which eventually fragments. We study how the drop…

Carbon fiber and graphene-based nanostructures such as carbon nanotubes (CNTs) and defective structures have extraordinary potential as strong and lightweight materials. A longstanding bottleneck has been lack of understanding and…

Materials Science · Physics 2021-10-26 Qi Zhao , Jordan J. Winetrout , Yanxun Xu , Yusu Wang , Hendrik Heinz

A new mesoscale mechanical model, describing elastic interactions in carbon nanotubes (CNT) and other nanofilaments, is proposed. Functional form of the developed model is based on enhanced vector model (EVM) that describes basic types of…

Mesoscale and Nanoscale Physics · Physics 2019-05-14 Vitaliy Petrov , Igor Ostanin , Petr Zhilyaev

Data-driven material models have many advantages over classical numerical approaches, such as the direct utilization of experimental data and the possibility to improve performance of predictions when additional data is available. One…

Computational Engineering, Finance, and Science · Computer Science 2020-06-11 Dengpeng Huang , Jan Niklas Fuhg , Christian Weißenfels , Peter Wriggers
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