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知网期刊论文(1165)
在“
Elsevier电子期刊
”中,
命中:
1,099
条,耗时:0.147935 秒
在所有数据库中总计命中:
4,473
条
1.
raaSAFT: A framework enabling coarse-grained
molecular
dynamics
simulation
s based on the SAFT- Mie force field
作者:
Å
;
smund Ervik
a
;
asmunder@pvv.org
;
Guadalupe Jimé
;
nez Serratos
b
;
m.jimenez-serratos@imperial.ac.uk
;
Erich A. Mü
;
ller
b
;
e.muller@imperial.ac.uk
关键词:
Molecular
dynamics
;
GPU
;
HOOMD-blue
;
Coarse-grained
;
SAFT-γγ Mie
刊名:Computer Physics Communications
出版年:2017
2.
Interaction of Ions with Hydrated Clay Surfaces: Computational
Molecular
Modeling for Nuclear Waste Disposal Applications
作者:
A.G. Kalinichev
;
kalinich@subatech.in2p3.fr
;
N. Loganathan
;
B.F. Ngouana Wakou
;
Z. Chen
关键词:
mineral-water interfaces
;
clay
;
molecular
dynamics
simulation
s
;
nuclear waste disposal
刊名:Procedia Earth and Planetary Science
出版年:2017
3.
Molecular
dynamics
simulation
on explosive boiling of liquid argon film on copper nanochannels
作者:
Shiwei Zhang
a
;
b
;
Feng Hao
b
;
Haimu Chen
a
;
Wei Yuan
a
;
Yong Tang
a
;
ytang@scut.edu.cn
;
Xi Chen
b
;
c
;
xichen@columbia.edu
关键词:
Explosive boiling
;
Nanochannels
;
Molecular
dynamics
simulation
;
Phase transition
;
Liquid argon
刊名:Applied Thermal Engineering
出版年:2017
4.
Effect of temperature and diameter of narrow single-walled carbon nanotubes on the viscosity of nanofluid: A
molecular
dynamics
study
作者:
Gholamreza Vakili-Nezhaad
a
;
;
Majid Al-Wadhahi
a
;
Ashish M. Gujrathi
a
;
Rashid Al-Maamari
a
;
Mahnaz Mohammadi
b
;
M.mohammadi_2@grad.kashanu.ac.ir
关键词:
Molecular
dynamic
simulation
;
Carbon nanotubes
;
Nanofluid
;
Viscosity
;
Chirality and diameter effect
;
Temperature effect
刊名:Fluid Phase Equilibria
出版年:2017
5.
Impacts of potential models on calculating the thermal conductivity of graphene using
non
-
equilibrium
molecular
dynamics
simulation
s
作者:
Chao Si
a
;
b
;
Xiao-Dong Wang
a
;
b
;
wangxd99@gmail.com
;
Zhen Fan
c
;
Zhi-Hai Feng
c
;
Bing-Yang Cao
d
;
caoby@tsinghua.edu.cn
关键词:
Molecular
dynamics
;
Interatomic potential
;
Thermal conductivity
;
Graphene
;
Multi-layer
刊名:International Journal of Heat and Mass Transfer
出版年:2017
6.
A fast mollified impulse method for bio
molecular
atomistic
simulation
s
作者:
L. Fath
a
;
lukas.fath@kit.edu
;
M. Hochbruck
a
;
marlis.hochbruck@kit.edu
;
C.V. Singh
b
;
chandraveer.singh@utoronto.ca
关键词:
Mollified impulse method
;
Highly oscillatory
;
Resonances
;
Corotation
;
Molecular
dynamics
刊名:Journal of Computational Physics
出版年:2017
7.
Alchemical determination of drug-receptor binding free energy: Where we stand and where we could move to
作者:
Piero Procacci
procacci@unifi.it
关键词:
Binding free energy
;
Alchemical
simulation
s
;
Solute tempering
;
Hamiltonian Replica Exchange
;
Jarzynski theorem
;
Crooks theorem
;
Drug-receptor
;
Molecular
dynamics
;
Nonequilibrium
process
刊名:Journal of
Molecular
Graphics and Modelling
出版年:2017
8.
Non
-
equilibrium
MD modeling and
simulation
to extract mechanical properties of copper nanoparticles under ultra-high strain rate loading
作者:
Krishnan Bandyopadhyay
;
Jit Sarkar
;
K.S. Ghosh
;
M.M. Ghosh
;
mmgnitd@gmail.com
关键词:
Nanoparticles
;
Molecular
dynamics
;
Tensile properties
;
Compressive properties
;
Yield strength
;
Young&rsquo
;
s modulus
刊名:Computational Materials Science
出版年:2017
9.
Thermal characteristics of graphene nanoribbons endorsed by surface functionalization
作者:
Yinfeng Li
a
;
1
;
liyinfeng@sjtu.edu.cn
;
Anran Wei
a
;
1
;
Dibakar Datta
b
关键词:
Graphene
;
Hydrogenation
;
Thermal rectification
;
Kapitza conductance
;
Molecular
dynamics
刊名:Carbon
出版年:2017
10.
Understanding thermal conductance across multi-wall carbon nanotube contacts: Role of nanotube curvature
作者:
Vikas Varshney
a
;
b
;
vikas.varshney.1.ctr@us.af.mil
;
Jonghoon Lee
a
;
b
;
Deyu Li
c
;
Joshua S. Brown
d
;
1
;
Barry L. Farmer
a
;
Andrey A. Voevodin
a
;
2
;
Ajit K. Roy
a
;
ajit.roy@us.af.mil
关键词:
Molecular
dynamics
;
MWCNTs
;
Thermal transport
;
Interface thermal conductance
;
Pho
non
focusing
刊名:Carbon
出版年:2017
1
2
3
4
5
6
7
8
9
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