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

Multi-scale Modeling of Polymer Thin...

Xia, Wenjie.

FindBook

Google Book

Amazon

博客來

Multi-scale Modeling of Polymer Thin Films towards Predicting Thermomechanical Behaviors of Nanomaterials under Nanoconfinement.

紀錄類型:	書目-電子資源 : Monograph/item
正題名/作者:	Multi-scale Modeling of Polymer Thin Films towards Predicting Thermomechanical Behaviors of Nanomaterials under Nanoconfinement./
作者:	Xia, Wenjie.
出版者:	Ann Arbor : ProQuest Dissertations & Theses, : 2016,
面頁冊數:	165 p.
附註:	Source: Dissertation Abstracts International, Volume: 78-02(E), Section: B.
Contained By:	Dissertation Abstracts International78-02B(E).
標題:	Mechanics. -
電子資源:	http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=10160661
ISBN:	9781369155686

Multi-scale Modeling of Polymer Thin Films towards Predicting Thermomechanical Behaviors of Nanomaterials under Nanoconfinement.
Xia, Wenjie.

Multi-scale Modeling of Polymer Thin Films towards Predicting Thermomechanical Behaviors of Nanomaterials under Nanoconfinement. - Ann Arbor : ProQuest Dissertations & Theses, 2016 - 165 p.

Source: Dissertation Abstracts International, Volume: 78-02(E), Section: B.

Thesis (Ph.D.)--Northwestern University, 2016.

As the characteristic dimensions of polymer thin films become increasingly miniaturized in nanotechnological applications, such as nanoelectronics, coating, biosensors and functional nanocomposites, there is a growing need for understanding and predicting their thermo-mechanical responses. Nanoscale polymer thin films exhibit strong confinement effects on the key materials properties that diverge significantly from their bulk responses, such as glass-transition and elastic properties. While some progress has been made towards understanding the nanocofinement behaviors of polymer thin films and nanocomposites over the past two decades, predicting their properties is very challenging as they are greatly influenced by many factors, such as interfacial energy, cohesive interaction, and molecular weight, giving rise to the presence of interfaces and free surfaces at the nanoscale. To overcome these critical issues, in this dissertation, we have employed a novel simulation-based multi-scale modeling approach to investigate the thermo-mechanical responses of polymer thin films under nanoconfinement. In particular, we have developed a scale-bridging computational technique, called the thermo-mechanically consistent coarse-graining (TCCG) method, which employs a bottom-up modeling approach starting from all-atomistic molecular dynamics (AA-MD) simulations to obtain key materials parameters that are validated by experiments. Built upon our TCCG approach, we are able to investigate how the interface and free surface affect the glass-transition and mechanical behaviors of polymer thin films under nanoconfinement. We have also established a multi-scale modeling framework allowing the prediction of the glass transition and mechanical interphase properties of polymer-based nanocomposites as a function of interfacial energy and filler volume fraction by drawing the analogy between thin films and composites. Our multi-scale modeling framework and simulations explain the recent experimental observations on polymer nanostructures, and break new ground in predicting key structure-property relationships for polymer nanomaterials.

ISBN: 9781369155686Subjects--Topical Terms:

525881
Mechanics.

Multi-scale Modeling of Polymer Thin Films towards Predicting Thermomechanical Behaviors of Nanomaterials under Nanoconfinement.
LDR:03126nmm a2200301 4500 001 2122271
005 20170912094018.5
008 180830s2016 ||||||||||||||||| ||eng d
020 $a 9781369155686
035 $a (MiAaPQ)AAI10160661
035 $a AAI10160661
040 $a MiAaPQ $c MiAaPQ
100 1 $a Xia, Wenjie. $0 (orcid)0000-0001-7870-0128 $3 3284237
245 1 0 $a Multi-scale Modeling of Polymer Thin Films towards Predicting Thermomechanical Behaviors of Nanomaterials under Nanoconfinement.
260 1 $a Ann Arbor : $b ProQuest Dissertations & Theses, $c 2016
300 $a 165 p.
500 $a Source: Dissertation Abstracts International, Volume: 78-02(E), Section: B.
500 $a Adviser: Sinan Keten.
502 $a Thesis (Ph.D.)--Northwestern University, 2016.
520 $a As the characteristic dimensions of polymer thin films become increasingly miniaturized in nanotechnological applications, such as nanoelectronics, coating, biosensors and functional nanocomposites, there is a growing need for understanding and predicting their thermo-mechanical responses. Nanoscale polymer thin films exhibit strong confinement effects on the key materials properties that diverge significantly from their bulk responses, such as glass-transition and elastic properties. While some progress has been made towards understanding the nanocofinement behaviors of polymer thin films and nanocomposites over the past two decades, predicting their properties is very challenging as they are greatly influenced by many factors, such as interfacial energy, cohesive interaction, and molecular weight, giving rise to the presence of interfaces and free surfaces at the nanoscale. To overcome these critical issues, in this dissertation, we have employed a novel simulation-based multi-scale modeling approach to investigate the thermo-mechanical responses of polymer thin films under nanoconfinement. In particular, we have developed a scale-bridging computational technique, called the thermo-mechanically consistent coarse-graining (TCCG) method, which employs a bottom-up modeling approach starting from all-atomistic molecular dynamics (AA-MD) simulations to obtain key materials parameters that are validated by experiments. Built upon our TCCG approach, we are able to investigate how the interface and free surface affect the glass-transition and mechanical behaviors of polymer thin films under nanoconfinement. We have also established a multi-scale modeling framework allowing the prediction of the glass transition and mechanical interphase properties of polymer-based nanocomposites as a function of interfacial energy and filler volume fraction by drawing the analogy between thin films and composites. Our multi-scale modeling framework and simulations explain the recent experimental observations on polymer nanostructures, and break new ground in predicting key structure-property relationships for polymer nanomaterials.
590 $a School code: 0163.
650 4 $a Mechanics. $3 525881
650 4 $a Mechanical engineering. $3 649730
650 4 $a Chemical engineering. $3 560457
690 $a 0346
690 $a 0548
690 $a 0542
710 2 $a Northwestern University. $b Civil and Environmental Engineering. $3 1021864
773 0 $t Dissertation Abstracts International $g 78-02B(E).
790 $a 0163
791 $a Ph.D.
792 $a 2016
793 $a English
856 4 0 $u http://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=10160661