Related papers: Deformation and failure in nanomaterials via a dat…
In layered materials, a common mode of deformation involves buckling of the layers under tensile deformation in the direction perpendicular to the layers. The instability mechanism, which operates in elastic materials from geological to…
Super-compressible foam-like carbon nanotube films have been reported to exhibit highly nonlinear viscoelastic behaviour in compression similar to soft tissue. Their unique combination of light weight and exceptional electrical, thermal and…
A new hyperelastic material model is proposed for graphene-based structures, such as graphene, carbon nanotubes (CNTs) and carbon nanocones (CNC). The proposed model is based on a set of invariants obtained from the right surface…
We extend the Data-Driven formulation of problems in elasticity of Kirchdoerfer and Ortiz (2016) to inelasticity. This extension differs fundamentally from Data-Driven problems in elasticity in that the material data set evolves in time as…
First-principles simulations were performed to investigate reaction of carbon nanotubes with adsorbed metal atoms. Mechanical modification of their structures enhances chemical reactivity of carbon nanotubes. Adsorption of a tungsten,…
Commonly used linear and nonlinear constitutive material models in deformation simulation contain many simplifications and only cover a tiny part of possible material behavior. In this work we propose a framework for learning customized…
We address the prediction of ductile damage and material anisotropy accumulated during plastic deformation of metals. A new model of phenomenological metal plasticity is proposed which is suitable for applications involving large…
Predicting the behaviour of complex systems is one of the main goals of science. An important example is plastic deformation of micron-scale crystals, a process mediated by collective dynamics of dislocations, manifested as broadly…
In the present work, a method for the study of the structural deformations of two dimensional planar structures under uniaxial strain is presented. The method is based on molecular mechanics using the original stick and spiral model and a…
Here we use large-scale molecular dynamics (MD) simulations of the high-rate deformation of nanocrystalline tantalum to investigate the processes associated with plastic deformation for strains up to 100%. We use initial atomic…
In this paper, we introduce a data-driven modeling approach for dynamics problems with latent variables. The state-space of the proposed model includes artificial latent variables, in addition to observed variables that can be fitted to a…
A powerful technique is introduced for simulating mechanical and electromechanical properties of one-dimensional nanostructures under arbitrary combinations of bending, twisting, and stretching. The technique is based on a novel control of…
Fracture of materials with rate-dependent mechanical behaviour, e.g. polymers, is a highly complex process. For an adequate modelling, the coupling between rate-dependent stiffness, dissipative mechanisms present in the bulk material and…
Extensive molecular dynamics simulations of water permeation and ion selectivity of the single-walled carbon nanotubes with the radial deformation are presented . The simulated results indicate that there is a close relationship between the…
Size effects have been predicted at the micro- or nano-scale for porous ductile materials from Molecular Dynamics, Discrete Dislocation Dynamics and Continuum Mechanics numerical simulations, as a consequence of Geometrically Necessary…
The dynamics of flexible filaments entrained in flow, important for understanding many biological and industrial processes, are computationally expensive to model with full-physics simulations. This work describes a data-driven technique to…
Atomistic simulations are performed to probe the anisotropic deformation in the compressions of face-centred-cubic metallic nanoparticles. In the elastic regime, the compressive load-depth behaviors can be characterized by the classical…
The accuracy and fidelity of deformation simulations are highly dependent upon the underlying constitutive material model. Commonly used linear or nonlinear constitutive material models only cover a tiny part of possible material behavior.…
This work presents a two-stage physics-informed, data-driven constitutive modeling framework for hyperelastic soft materials undergoing progressive damage and failure. The framework is grounded in the concept of hyperelasticity with energy…
The failure stresses and strains of nanotubes given by theoretical or numerical predictions are much higher than observed in experiments. We show that defects can explain part of this discrepancy: for an n-atom defect with 2<=n<=8, the…