東華大學圖書館 |

語系: 繁體中文

說明(常見問題)

回圖書館首頁

手機版館藏查詢

登入

回首頁

切換: 標籤 | MARC模式 | ISBD

Predicting the Mechanical Properties...

Muller, Scott E.

FindBook

Google Book

Amazon

博客來

Predicting the Mechanical Properties of Nanocomposites Reinforced with 1-D, 2-D and 3-D Nanomaterials.

紀錄類型:	書目-電子資源 : Monograph/item
正題名/作者:	Predicting the Mechanical Properties of Nanocomposites Reinforced with 1-D, 2-D and 3-D Nanomaterials./
作者:	Muller, Scott E.
出版者:	Ann Arbor : ProQuest Dissertations & Theses, : 2019,
面頁冊數:	159 p.
附註:	Source: Dissertations Abstracts International, Volume: 80-10, Section: B.
Contained By:	Dissertations Abstracts International80-10B.
標題:	Computational physics. -
電子資源:	http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=13810489
ISBN:	9781392011492

Predicting the Mechanical Properties of Nanocomposites Reinforced with 1-D, 2-D and 3-D Nanomaterials.
Muller, Scott E.

Predicting the Mechanical Properties of Nanocomposites Reinforced with 1-D, 2-D and 3-D Nanomaterials. - Ann Arbor : ProQuest Dissertations & Theses, 2019 - 159 p.

Source: Dissertations Abstracts International, Volume: 80-10, Section: B.

Thesis (Ph.D.)--University of Arkansas, 2019.

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

Materials with features at the nanoscale can provide unique mechanical properties and increased functionality when included as part of a nanocomposite. This dissertation utilizes computational methods at multiple scales, including molecular dynamics (MD) and density functional theory (DFT), and the coupled atomistic and discrete dislocation multiscale method (CADD), to predict the mechanical properties of nanocomposites possessing nanomaterials that are either 1-D (carbyne chains), 2-D (graphene sheets), or 3-D (Al/amorphous-Si core-shell nanorod). The MD method is used to model Ni-graphene nanocomposites. The strength of a Ni-graphene nanocomposite is found to improve by increasing the gap between the graphene sheet and a crack embedded in the Ni matrix. Ni-graphene nanocomposites also show substantially greater strength than pure Ni, depending on the loading direction and crack orientation relative to the graphene sheet. Moreover, polycrystalline graphene may serve as a better reinforce in Ni-graphene nanocomposites due to its improved interfacial shear stress with the Ni matrix compared to pristine graphene. This work develops a patchwork quilt method for generating polycrystalline graphene sheets for use in MD models. Carbyne-based nanocomposites are modeled from first principles using DFT. This research finds that carbyne can only serve as an effective reinforcement in Ni-based nanocomposites when it is dielectrically screened from the Ni matrix, otherwise the carbyne structure is lost. When graphene is used as a dielectric screen, the local stiffness of the nanocomposite improves with the number of carbyne chains present. Specific stiffness is introduced as an alternative to elastic stiffness for characterizing low-dimensional materials because it is not dependent on volume when derived using an energy vs. strain relation. A two-material formulation of CADD is developed to model Al/a-Si core-shell nanorods under indentation/retraction. The structural deformation behavior is found to be dependent on the geometry of both core and shell. When present, the a-Si shell protects the Al core by delocalizing forces produced by the indenter. It is also found that substrate deformation becomes important for core-shell structures with sufficiently small cores. This work can help guide experimental and computational work related to the discussed 1-D, 2-D and 3-D nanomaterials and aid in future nanocomposite design.

ISBN: 9781392011492Subjects--Topical Terms:

3343998
Computational physics.
Subjects--Index Terms:

Composite materials

Predicting the Mechanical Properties of Nanocomposites Reinforced with 1-D, 2-D and 3-D Nanomaterials.
LDR:03825nmm a2200421 4500 001 2267090
005 20200623111656.5
008 220629s2019 ||||||||||||||||| ||eng d
020 $a 9781392011492
035 $a (MiAaPQ)AAI13810489
035 $a (MiAaPQ)uark:13352
035 $a AAI13810489
040 $a MiAaPQ $c MiAaPQ
100 1 $a Muller, Scott E. $3 3544331
245 1 0 $a Predicting the Mechanical Properties of Nanocomposites Reinforced with 1-D, 2-D and 3-D Nanomaterials.
260 1 $a Ann Arbor : $b ProQuest Dissertations & Theses, $c 2019
300 $a 159 p.
500 $a Source: Dissertations Abstracts International, Volume: 80-10, Section: B.
500 $a Publisher info.: Dissertation/Thesis.
500 $a Advisor: Nair, Arun K.
502 $a Thesis (Ph.D.)--University of Arkansas, 2019.
506 $a This item must not be sold to any third party vendors.
520 $a Materials with features at the nanoscale can provide unique mechanical properties and increased functionality when included as part of a nanocomposite. This dissertation utilizes computational methods at multiple scales, including molecular dynamics (MD) and density functional theory (DFT), and the coupled atomistic and discrete dislocation multiscale method (CADD), to predict the mechanical properties of nanocomposites possessing nanomaterials that are either 1-D (carbyne chains), 2-D (graphene sheets), or 3-D (Al/amorphous-Si core-shell nanorod). The MD method is used to model Ni-graphene nanocomposites. The strength of a Ni-graphene nanocomposite is found to improve by increasing the gap between the graphene sheet and a crack embedded in the Ni matrix. Ni-graphene nanocomposites also show substantially greater strength than pure Ni, depending on the loading direction and crack orientation relative to the graphene sheet. Moreover, polycrystalline graphene may serve as a better reinforce in Ni-graphene nanocomposites due to its improved interfacial shear stress with the Ni matrix compared to pristine graphene. This work develops a patchwork quilt method for generating polycrystalline graphene sheets for use in MD models. Carbyne-based nanocomposites are modeled from first principles using DFT. This research finds that carbyne can only serve as an effective reinforcement in Ni-based nanocomposites when it is dielectrically screened from the Ni matrix, otherwise the carbyne structure is lost. When graphene is used as a dielectric screen, the local stiffness of the nanocomposite improves with the number of carbyne chains present. Specific stiffness is introduced as an alternative to elastic stiffness for characterizing low-dimensional materials because it is not dependent on volume when derived using an energy vs. strain relation. A two-material formulation of CADD is developed to model Al/a-Si core-shell nanorods under indentation/retraction. The structural deformation behavior is found to be dependent on the geometry of both core and shell. When present, the a-Si shell protects the Al core by delocalizing forces produced by the indenter. It is also found that substrate deformation becomes important for core-shell structures with sufficiently small cores. This work can help guide experimental and computational work related to the discussed 1-D, 2-D and 3-D nanomaterials and aid in future nanocomposite design.
590 $a School code: 0011.
650 4 $a Computational physics. $3 3343998
650 4 $a Mechanical engineering. $3 649730
650 4 $a Nanotechnology. $3 526235
650 4 $a Materials science. $3 543314
653 $a Composite materials
653 $a Density functional theory
653 $a Mechanical properties
653 $a Molecular dynamics
653 $a Multiscale computational modeling
653 $a Nanomaterials
690 $a 0216
690 $a 0548
690 $a 0652
690 $a 0794
710 2 $a University of Arkansas. $b Mechanical Engineering. $3 2094155
773 0 $t Dissertations Abstracts International $g 80-10B.
790 $a 0011
791 $a Ph.D.
792 $a 2019
793 $a English
856 4 0 $u http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=13810489