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Atomistically-Informed Finite Elemen...

Fan, Jiadi .

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Atomistically-Informed Finite Element Simulations of Phase Transformations and Fracture in Materials.

Record Type:	Electronic resources : Monograph/item
Title/Author:	Atomistically-Informed Finite Element Simulations of Phase Transformations and Fracture in Materials./
Author:	Fan, Jiadi .
Published:	Ann Arbor : ProQuest Dissertations & Theses, : 2020,
Description:	208 p.
Notes:	Source: Dissertations Abstracts International, Volume: 81-09, Section: B.
Contained By:	Dissertations Abstracts International81-09B.
Subject:	Mechanics. -
Online resource:	https://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=27738145
ISBN:	9781658426459

Atomistically-Informed Finite Element Simulations of Phase Transformations and Fracture in Materials.
Fan, Jiadi .

Atomistically-Informed Finite Element Simulations of Phase Transformations and Fracture in Materials. - Ann Arbor : ProQuest Dissertations & Theses, 2020 - 208 p.

Source: Dissertations Abstracts International, Volume: 81-09, Section: B.

Thesis (Ph.D.)--University of Minnesota, 2020.

This item must not be sold to any third party vendors.

Multiscale material modeling is a powerful computational method to investigate materials at disparate length and/or time scales, and has been widely employed to study a large variety of problems in science and engineering. In this dissertation, an atomistically-informed finite element method (AFEM) is introduced, which involves two scales of calculations: the finite element method (FEM) and atomistic simulation. The FEM as a powerful tool to simulate material response in the continuum scale is widely used in solid mechanics field. However, phenomenological model is usually employed as constitutive law, which lacks the fundamental insights of material. Atomistic simulation can provide us with thermomechanical properties of material based on the interactions between atoms, but is limited to small model size due to the computational efficiency. In the AFEM presented in this dissertation, the material properties are calculated from the atomistic scale simulations, and are employed in the continuum scale FEM simulations as material parameters. Using such a modeling method, we can predict the large scale mechanical response of a system without losing atomistic insights of materials. The AFEM is implemented in an in situ simulation of a diamond anvil cell to predict the phase transformation of silicon under pressure, and a cohesive element simulation of epoxy--graphene composite to study the fracture mechanism at small graphene loading.

ISBN: 9781658426459Subjects--Topical Terms:

525881
Mechanics.
Subjects--Index Terms:

Cohesive element

Atomistically-Informed Finite Element Simulations of Phase Transformations and Fracture in Materials.
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245 1 0 $a Atomistically-Informed Finite Element Simulations of Phase Transformations and Fracture in Materials.
260 1 $a Ann Arbor : $b ProQuest Dissertations & Theses, $c 2020
300 $a 208 p.
500 $a Source: Dissertations Abstracts International, Volume: 81-09, Section: B.
500 $a Advisor: Tadmor, Ellad B.
502 $a Thesis (Ph.D.)--University of Minnesota, 2020.
506 $a This item must not be sold to any third party vendors.
520 $a Multiscale material modeling is a powerful computational method to investigate materials at disparate length and/or time scales, and has been widely employed to study a large variety of problems in science and engineering. In this dissertation, an atomistically-informed finite element method (AFEM) is introduced, which involves two scales of calculations: the finite element method (FEM) and atomistic simulation. The FEM as a powerful tool to simulate material response in the continuum scale is widely used in solid mechanics field. However, phenomenological model is usually employed as constitutive law, which lacks the fundamental insights of material. Atomistic simulation can provide us with thermomechanical properties of material based on the interactions between atoms, but is limited to small model size due to the computational efficiency. In the AFEM presented in this dissertation, the material properties are calculated from the atomistic scale simulations, and are employed in the continuum scale FEM simulations as material parameters. Using such a modeling method, we can predict the large scale mechanical response of a system without losing atomistic insights of materials. The AFEM is implemented in an in situ simulation of a diamond anvil cell to predict the phase transformation of silicon under pressure, and a cohesive element simulation of epoxy--graphene composite to study the fracture mechanism at small graphene loading.
590 $a School code: 0130.
650 4 $a Mechanics. $3 525881
650 4 $a Materials science. $3 543314
653 $a Cohesive element
653 $a Diamond anvial cell
653 $a Fracture mechanics
653 $a Graphene-epoxy composite
653 $a Multiscale modeling
653 $a Phase transformation
690 $a 0346
690 $a 0794
710 2 $a University of Minnesota. $b Aerospace Engineering and Mechanics. $3 1681609
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