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fly771125

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[求助] 麻烦帮忙看看AMM416-417是否检索，谢谢

作者：Xiumei Zhang, Sheldon. Shi, Jun Cao.
题目： Elastic properties of cellulose by molecular dynamics simulation.
Applied Mechanics and Materials. 416-417: 1726-1730，2013.

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fly771125: 金币+5, ★★★★★最佳答案 2014-02-10 16:28:57
jssxh: 金币+2, 检索EPI+1, 谢谢参与，请继续关注本版块！ 2014-02-11 09:22:53

EI检索到了

Accession number:

20134416920960

Title:

Elastic properties of cellulose by molecular dynamics simulation

Authors:

Zhang, Xiu Mei1 ; Shi, Sheldon Q.2 ; Cao, Jun1

Author affiliation:

1College of Electromechanical Engineering, Northeast Forestry University, Harbin 150040, China

2Mechanical and Energy Engineering, University of North Texas, Denton, TX 76207, United States

Source title:

Applied Mechanics and Materials

Abbreviated source title:

Appl. Mech. Mater.

Volume:

416-417

Monograph title:

Linear Drives for Industry Applications IX

Issue date:

2013

Publication year:

2013

Pages:

1726-1730

Language:

English

ISSN:

16609336

E-ISSN:

16627482

ISBN-13:

9783037858639

Document type:

Conference article (CA)

Conference name:

9th International Symposium on Linear Drives for Industry Applications, LDIA 2013

Conference date:

July 7, 2013 - July 10, 2013

Conference location:

Hangzhou, China

Conference code:

100437

Sponsor:

Zhejiang University; Linear Machines Institute of China Electrotechnical Society (CES); Institute of Electrical Engineering of Chinese Academy of Science

Publisher:

Trans Tech Publications Ltd, Kreuzstrasse 10, Zurich-Durnten, CH-8635, Switzerland

Abstract:

Molecular dynamics (MD) simulations were performed on molecular models of cellulose represented by two crystalline samples and amorphous samples. Simulated elastic properties and structures of each cellulose model were studied by MD simulations with the reactive force field and compared against experimental data for corresponding sample. The simulation boxes in stretch provide the materials elasticity. When there is a strain, the energy increases and internal stresses were built up within the supercell. The elastic moduli of amorphous and crystalline cellulose were comparable to the literature value. The calculated results had negligible difference with the experimentally measured parameters that indicated that the initial structures were stable using the ReaxFF. © (2013) Trans Tech Publications, Switzerland.

Number of references:

13

Main heading:

Cellulose

Controlled terms:

Computer simulation  -  Crystalline materials  -  Digital storage  -  Elastic moduli  -  Elasticity  -  Industrial applications  -  Molecular dynamics

Uncontrolled terms:

Amorphous samples  -  Crystalline cellulose  -  Crystalline samples  -  Elastic properties  -  Initial structures  -  Measured parameters  -  Molecular dynamics simulations  -  Reactive force field

Classification code:

951 Materials Science -  933.1 Crystalline Solids -  913 Production Planning and Control; Manufacturing -  815.1.1 Organic Polymers -  801.4 Physical Chemistry -  723.5 Computer Applications -  722.1 Data Storage, Equipment and Techniques -  422 Strength of Building Materials; Test Equipment and Methods -  421 Strength of Building Materials; Mechanical Properties

DOI:

10.4028/www.scientific.net/AMM.416-417.1726

Database:

Compendex

Compilation and indexing terms, © 2013 Elsevier Inc.

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