Size Effects in a Silica-Polystyrene Nanocomposite: Molecular Dynamics and Surface-enhanced Continuum Approaches

Davydov, Denis; Voyiatzis, Evangelos; Chatzigeorgiou, Georges; Liu, Shengyuan; Steinmann, Paul; Böhm, Michael; Müller‐Plathe, Florian

doi:10.1080/1539445x.2014.959597

Cited by 6 publications

(3 citation statements)

References 53 publications

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“…This is relevant for most nanocomposites, where so-called "positive" (or stiffening) size-effects are usually observed. However, numerical evidence from atomistic simulations suggest that some nanoparticles/polymer composites (Odegard et al, 2005;Davydov et al, 2014) might exhibit "negative" (softening) size-effects. For such materials, strain-gradient models are inadequate, while stress-gradient have the required qualitative behavior.…”

Section: Apparent Compliance -Uniform Stress Boundary Conditionsmentioning

confidence: 99%

Mori–Tanaka estimates of the effective elastic properties of stress-gradient composites

Tran

Brisard

Guilleminot

et al. 2018

International Journal of Solids and Structures

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A stress-gradient material model was recently proposed by Forest and Sab [Mech. Res. Comm. 40, 16-25, 2012] as an alternative to the well-known strain-gradient model introduced in the mid 60s. We propose a theoretical framework for the homogenization of stress-gradient materials. We derive suitable boundary conditions ensuring that Hill-Mandel's lemma holds. As a first result, we show that stress-gradient materials exhibit a softening size-effect (to be defined more precisely in this paper), while strain-gradient materials exhibit a stiffening size-effect. This demonstrates that the stress-gradient and strain-gradient models are not equivalent as intuition would have it, but rather complementary. Using the solution to Eshelby's spherical inhomogeneity problem that we derive in this paper, we propose Mori-Tanaka estimates of the effective properties of stress-gradient composites with spherical inclusions, thus opening the way to more advanced multi-scale analyses of stress-gradient materials.

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Section: Apparent Compliance -Uniform Stress Boundary Conditionsmentioning

confidence: 99%

Mori–Tanaka estimates of the effective elastic properties of stress-gradient composites

Tran

Brisard

Guilleminot

et al. 2018

International Journal of Solids and Structures

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“…From (20), it follows that E * f → E f when R → δ and E * f ≡ E f when R ≤ δ. Considering both the surface stresses and non-homogeneity of Young's modulus of bulk material near the lateral surface, we derive the combined formula Fig.…”

Section: Stiffness Of a Rod With Surface Effectsmentioning

confidence: 99%

“…Among them we mention ab initio methods and other atomistic simulations; see, for example, [8,20,82,102,103]. Since we focus on the mechanical behavior of surface-enhanced materials, we restrict ourselves to continuum methods referring to discrete models only for comparison of the results.…”

Section: Introductionmentioning

confidence: 99%

On effective properties of materials at the nano- and microscales considering surface effects

Eremeyev

2015

Acta Mech

170

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In the last years, the rapid increase in the technical capability to control and design materials at the nanoscale has pushed toward an intensive exploitation of new possibilities concerning optical, chemical, thermoelectrical and electronic applications. As a result, new materials have been developed to obtain specific physical properties and performances. In this general picture, it was natural that the attention toward mechanical characterization of the new structures was left, in a sense, behind. Anyway, once the theoretically designed objects proceed toward concrete manufacturing and applications, an accurate and general description of their mechanical properties becomes more and more scientifically relevant. The aim of the paper is therefore to discuss new methods and techniques for modeling the behavior of nanostructured materials considering surface/interface properties, which are responsible for the main differences between nano-and macroscale, and to determine their actual material properties at the macroscale. Our approach is intended to study the mechanical properties of materials taking into account surface properties including possible complex inner microstructure of surface coatings. We use the Gurtin-Murdoch model of surface elasticity. We consider the inner regular and irregular surface thin coatings (i.e., ordered or disordered nanofibers arrays) and present few examples of averaged 2D properties of them. Since the actual 2D properties depend not only on the mechanical properties of fibers or other elements of a coating, but also on the interaction forces between them, the analysis also includes information on the geometry of the microstructure of the coating, on mechanical properties of elements and on interaction forces. Further we use the obtained 2D properties to derive the effective properties of solids and structures at the macroscale, such as the bending stiffness or Young's modulus.

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Mechanical Behavior of PMMA/SiO2 Multilayer Nanocomposites: Experiments and Molecular Dynamics Simulation

et al. 2019

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Size Effects in a Silica-Polystyrene Nanocomposite: Molecular Dynamics and Surface-enhanced Continuum Approaches

Cited by 6 publications

References 53 publications

Mori–Tanaka estimates of the effective elastic properties of stress-gradient composites

Mori–Tanaka estimates of the effective elastic properties of stress-gradient composites

On effective properties of materials at the nano- and microscales considering surface effects

Mechanical Behavior of PMMA/SiO2 Multilayer Nanocomposites: Experiments and Molecular Dynamics Simulation

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