Understanding Hygromechanically-Coupled Behavior, Using Atomistic Simulations of Biopolymeric Nano-Composite Material

Dominique Derome; Chi Zhang; Mingyang Chen; Karol Kulasinski; Sinan Keten; Jan Carmeliet

doi:10.1061/9780784480779.053

Understanding Hygromechanically-Coupled Behavior, Using Atomistic Simulations of Biopolymeric Nano-Composite Material

Dominique Derome, Chi Zhang, Mingyang Chen, Karol Kulasinski, Sinan Keten, Jan Carmeliet

Mechanical Engineering

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Abstract

This work aims to understand the hygromechanical coupled behavior of the wood cell wall S2 layer, a nanoporous composite material, as displayed by the co-occurrence of swelling and adsorption. We use an upscaling from molecular dynamics simulations (MD) at the atomistic scale to a poroelastic model, which is implemented in finite-element modeling (FEM) at the cell wall scale. We study this coupling in detail, document its co-occurrence and propose the vocable "perfect hygromechanical coupling", as applicable to such systems.

Original language	English (US)
Title of host publication	Poromechanics 2017 - Proceedings of the 6th Biot Conference on Poromechanics
Publisher	American Society of Civil Engineers (ASCE)
Pages	435-440
Number of pages	6
ISBN (Electronic)	9780784480779
DOIs	https://doi.org/10.1061/9780784480779.053
State	Published - Jan 1 2017
Event	6th Biot Conference on Poromechanics, Poromechanics 2017 - Paris, France Duration: Jul 9 2017 → Jul 13 2017

Other

Other	6th Biot Conference on Poromechanics, Poromechanics 2017
Country/Territory	France
City	Paris
Period	7/9/17 → 7/13/17

ASJC Scopus subject areas

Condensed Matter Physics
Mechanics of Materials
Acoustics and Ultrasonics

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10.1061/9780784480779.053

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Derome, D., Zhang, C., Chen, M., Kulasinski, K., Keten, S., & Carmeliet, J. (2017). Understanding Hygromechanically-Coupled Behavior, Using Atomistic Simulations of Biopolymeric Nano-Composite Material. In Poromechanics 2017 - Proceedings of the 6th Biot Conference on Poromechanics (pp. 435-440). American Society of Civil Engineers (ASCE). https://doi.org/10.1061/9780784480779.053

@inproceedings{834c5459bd4d481593bbeb02a9db04b2,

title = "Understanding Hygromechanically-Coupled Behavior, Using Atomistic Simulations of Biopolymeric Nano-Composite Material",

abstract = "This work aims to understand the hygromechanical coupled behavior of the wood cell wall S2 layer, a nanoporous composite material, as displayed by the co-occurrence of swelling and adsorption. We use an upscaling from molecular dynamics simulations (MD) at the atomistic scale to a poroelastic model, which is implemented in finite-element modeling (FEM) at the cell wall scale. We study this coupling in detail, document its co-occurrence and propose the vocable {"}perfect hygromechanical coupling{"}, as applicable to such systems.",

author = "Dominique Derome and Chi Zhang and Mingyang Chen and Karol Kulasinski and Sinan Keten and Jan Carmeliet",

year = "2017",

month = jan,

day = "1",

doi = "10.1061/9780784480779.053",

language = "English (US)",

pages = "435--440",

booktitle = "Poromechanics 2017 - Proceedings of the 6th Biot Conference on Poromechanics",

publisher = "American Society of Civil Engineers (ASCE)",

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note = "6th Biot Conference on Poromechanics, Poromechanics 2017 ; Conference date: 09-07-2017 Through 13-07-2017",

}

Derome, D, Zhang, C, Chen, M, Kulasinski, K, Keten, S & Carmeliet, J 2017, Understanding Hygromechanically-Coupled Behavior, Using Atomistic Simulations of Biopolymeric Nano-Composite Material. in Poromechanics 2017 - Proceedings of the 6th Biot Conference on Poromechanics. American Society of Civil Engineers (ASCE), pp. 435-440, 6th Biot Conference on Poromechanics, Poromechanics 2017, Paris, France, 7/9/17. https://doi.org/10.1061/9780784480779.053

Understanding Hygromechanically-Coupled Behavior, Using Atomistic Simulations of Biopolymeric Nano-Composite Material. / Derome, Dominique; Zhang, Chi; Chen, Mingyang et al.

Poromechanics 2017 - Proceedings of the 6th Biot Conference on Poromechanics. American Society of Civil Engineers (ASCE), 2017. p. 435-440.

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

TY - GEN

T1 - Understanding Hygromechanically-Coupled Behavior, Using Atomistic Simulations of Biopolymeric Nano-Composite Material

AU - Derome, Dominique

AU - Zhang, Chi

AU - Chen, Mingyang

AU - Kulasinski, Karol

AU - Keten, Sinan

AU - Carmeliet, Jan

PY - 2017/1/1

Y1 - 2017/1/1

N2 - This work aims to understand the hygromechanical coupled behavior of the wood cell wall S2 layer, a nanoporous composite material, as displayed by the co-occurrence of swelling and adsorption. We use an upscaling from molecular dynamics simulations (MD) at the atomistic scale to a poroelastic model, which is implemented in finite-element modeling (FEM) at the cell wall scale. We study this coupling in detail, document its co-occurrence and propose the vocable "perfect hygromechanical coupling", as applicable to such systems.

AB - This work aims to understand the hygromechanical coupled behavior of the wood cell wall S2 layer, a nanoporous composite material, as displayed by the co-occurrence of swelling and adsorption. We use an upscaling from molecular dynamics simulations (MD) at the atomistic scale to a poroelastic model, which is implemented in finite-element modeling (FEM) at the cell wall scale. We study this coupling in detail, document its co-occurrence and propose the vocable "perfect hygromechanical coupling", as applicable to such systems.

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M3 - Conference contribution

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EP - 440

BT - Poromechanics 2017 - Proceedings of the 6th Biot Conference on Poromechanics

PB - American Society of Civil Engineers (ASCE)

T2 - 6th Biot Conference on Poromechanics, Poromechanics 2017

Y2 - 9 July 2017 through 13 July 2017

ER -

Understanding Hygromechanically-Coupled Behavior, Using Atomistic Simulations of Biopolymeric Nano-Composite Material

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