设为首页
收藏本站
网站地图
|
English
|
公务邮箱
About the library
Background
History
Leadership
Organization
Readers' Guide
Opening Hours
Collections
Help Via Email
Publications
Electronic Information Resources
常用资源
电子图书
期刊论文
学位会议
外文资源
特色专题
内部出版物
Wiley电子期刊(1)
SpringerLink电子期刊(1)
Elsevier电子期刊(8)
ACS电子期刊(3)
在“
Elsevier电子期刊
”中,
命中:
8
条,耗时:小于0.01 秒
在所有数据库中总计命中:
13
条
1.
Revisiting silica with
ReaxFF
: Towards improved predictions of glass structure and properties via reactive molecular dynamics
作者:
Yingtian Yu
a
;
Bu Wang
a
;
Mengyi Wang
a
;
Gaurav Sant
b
;
c
;
Mathieu Bauchy
a
;
bauchy@ucla.edu" class="auth_mail" title="E-mail the corresponding author
关键词:
Amorphous silica
;
Molecular dynamics
;
ReaxFF
刊名:Journal of Non-Crystalline Solids
出版年:2016
2.
ReaxFF
and DFT study on the sulfur transformation mechanism during the oxidation process of lignite
作者:
Guang-Yue Li
;
Feng Wang
;
Jie-Ping Wang
;
Ying-Ying Li
;
An-Qi Li
;
Ying-Hua Liang
;
yhliang@ncst.edu.cn" class="auth_mail" title="E-mail the corresponding author
关键词:
Lignite
;
Sulfur transformation
;
Oxidation
;
ReaxFF
;
DFT
刊名:Fuel
出版年:2016
3.
A molecular dynamic simulation study of mechanical properties of graphene-polythiophene composite with
Reax
force field
作者:
Payman Nayebi
a
;
Esmaeil Zaminpayma
b
;
zaminpayma@qiau.ac.ir" class="auth_mail" title="E-mail the corresponding author
关键词:
Graphene&ndash
;
polythiophene composite
;
Molecular dynamic simulation
;
Reax
FF
;
Mechanical properties
刊名:Physics Letters A
出版年:2016
4.
ReaxFF
MDSs-based studies on gasification of glucose in supercritical water under microwave heating
作者:
Yi-Ming Zhang
a
;
Jia-Lin Li
a
;
jialinli@uestc.edu.cn" class="auth_mail" title="E-mail the corresponding author
;
Jian-Peng Wang
b
;
Xue-Song Yang
a
;
Bing-Zhong Wang
a
关键词:
Microwave heating
;
ReaxFF
molecular dynamics simulation
;
Glucose gasification
;
Collision theory
刊名:International Journal of Hydrogen Energy
出版年:2016
5.
Hydrogen di
ff
usion in amorphous ZrO
2
作者:
S. Arash Sheikholeslam
a
;
sarashs@ece.ubc.ca" class="auth_mail" title="E-mail the corresponding author
;
Weijun Luo
b
;
Cristian Grecu
a
;
Guangrui(Maggie) Xia
b
;
André
;
Ivanov
a
关键词:
Amorphous zirconium dioxide
;
Di
ff
usion
;
ReaxFF
;
NEB
刊名:Journal of Non-Crystalline Solids
出版年:2016
6.
Nanoscale mechanical tailoring of interfaces using self-assembled monolayers
作者:
Amnaya P. Awasthi
;
a
;
amnaya@ufl.edu" class="auth_mail" title="E-mail the corresponding author
;
Martha E. Grady
b
;
grady3@illinois.edu" class="auth_mail" title="E-mail the corresponding author
;
Isaiah H. Kim
c
;
hdkim1@illinois.edu" class="auth_mail" title="E-mail the corresponding author
;
Nancy R. Sottos
d
;
n-sottos@illinois.edu" class="auth_mail" title="E-mail the corresponding author
;
Philippe H. Geubelle
c
;
geubelle@illinois.edu" class="auth_mail" title="E-mail the corresponding author
关键词:
Self-assembled monolayers
;
Tailoring interface adhesion
;
Surface roughness
;
Molecular dynamics
;
Laser spallation
;
ReaxFF
刊名:Mechanics of Materials
出版年:2016
7.
Simulations of tensile bond rupture in single alkane molecules using reactive interatomic potentials
作者:
Sasan Nouranian
a
;
sasan@olemiss.edu" class="auth_mail" title="E-mail the corresponding author
;
Steven R. Gwaltney
b
;
Michael I. Baskes
c
;
Mark A. Tschopp
d
;
Mark F. Horstemeyer
a
;
e
刊名:Chemical Physics Letters
出版年:2015
8.
A reactive force field (
ReaxFF
) for zinc oxide
作者:
David Raym
;
Adri C.T. van Duin
;
Micael Baudin
;
Kersti Hermansson
关键词:
Zinc oxide
;
Construction and use of e
ff
ective interatomic interactions
;
Molecular dynamics
;
Density-functional calculations
;
Surface relaxation and reconstruction
;
Surface energy
刊名:Surface Science
出版年:2008
1
按检索点细分(8)
关键词(1)
文摘(5)
按出版年细分(8)
2016年(6)
2015年(1)
2008年(1)
NGLC 2004-2010.National Geological Library of China All Rights Reserved.
Add:29 Xueyuan Rd,Haidian District,Beijing,PRC. Mail Add: 8324 mailbox 100083
For exchange or info please contact us via
email
.