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知网期刊论文(722)
在“
Elsevier电子期刊
”中,
命中:
1,527
条,耗时:0.0219852 秒
在所有数据库中总计命中:
2,266
条
1.
Computational investigation of
interstitial
neon
diffusion
in pure hematite
作者:
Hilal Balout
a
;
b
;
Jé
;
rô
;
me Roques
b
;
roques@ipno.in2p2.fr
;
Cé
;
cile Gautheron
a
;
Laurent Tassan-Got
b
关键词:
Iron oxides
;
Hematite
;
Magnetism
;
Interstitial
diffusion
mechanism
;
DFT+U
;
Kinetic Mont Carlo (KMC)
;
Transition state theory (TST)
;
Arrhenius law
刊名:Computational Materials Science
出版年:2017
2.
Grown-in beryllium
diffusion
in indium gallium arsenide: An ab initio, continuum theory and kinetic Monte Carlo study
作者:
Wenyuan Liu
a
;
Mahasin Alam Sk
b
;
Sergei Manzhos
b
;
mpemanzh@nus.edu.sg
;
Ignacio Martin-Bragado
c
;
imartinbragado@gmail.com
;
Francis Benistant
d
;
Siew Ann Cheong
a
关键词:
Dopant
diffusion
;
Density functional theory
;
Kinetic Monte Carlo
刊名:Acta Materialia
出版年:2017
3.
Helium
diffusion
in pure hematite (α-Fe
2
O
3
) for thermochronometric applications: A theoretical multi-scale study
作者:
Hilal Balout
a
;
b
;
Jé
;
rô
;
me Roques
b
;
roques@ipno.in2p2.fr
;
Cé
;
cile Gautheron
a
;
Laurent Tassan-Got
b
;
Duval Mbongo-Djimbi
a
;
b
关键词:
Iron oxides
;
Hematite
;
Interstitial
diffusion
mechanism
;
DFT
;
DFT+U
;
Kinetic Monte Carlo (KMC)
;
Transition State Theory (TST)
;
Arrhenius law
刊名:Computational and Theoretical Chemistry
出版年:2017
4.
Molecular dynamics simulations of substitutional
diffusion
作者:
X.W. Zhou
;
xzhou@sandia.gov
;
R.E. Jones
;
J. Gruber
关键词:
Diffusion
;
Molecular dynamics
;
Semiconductor compound
刊名:Computational Materials Science
出版年:2017
5.
Influence of vacancy damage on He
diffusion
in apatite, investigated at atomic to mineralogical scales
作者:
Chloé
;
Gerin
a
;
b
;
Cé
;
cile Gautheron
a
;
cecile.gautheron@u-psud.fr
;
Erwan Oliviero
c
;
Cyril Bachelet
c
;
Duval Mbongo Djimbi
b
;
Anne-Magali Seydoux-Guillaume
d
;
Laurent Tassan-Got
b
;
Philippe Sarda
a
;
Jé
;
rô
;
me Roques
b
;
Fré
;
dé
;
rico Garrido
c
关键词:
Thermochronology
;
(U-Th)/He
;
Vacancy
;
Damage
;
Diffusion
;
Quantum calculation
;
ERDA
;
TEM
;
Apatite
刊名:Geochimica et Cosmochimica Acta
出版年:2017
6.
Diffusion
and retention of hydrogen in vanadium in presence of Ti and Cr: First-principles investigations
作者:
Pengbo Zhang
a
;
c
;
zhangpb@dlmu.edu.cn
;
Tingting Zou
b
;
Jijun Zhao
c
;
Pengfei Zheng
d
;
Jiming Chen
d
关键词:
H retention
;
Diffusion
;
Vanadium alloys
;
First principles
刊名:Journal of Nuclear Materials
出版年:2017
7.
Identifying self-
interstitial
s of bcc and fcc crystals in molecular dynamics
作者:
S. Bukkuru
a
;
srinivasaraobukkuru@gmail.com
;
U. Bhardwaj
b
;
haptork@gmail.com
;
M. Warrier
b
;
manoj.warrier@gmail.com
;
A.D.P. Rao
a
;
adp_rao_99@yahoo.com
;
M.C. Valsakumar
c
;
mc.valsakumar@gmail.com
关键词:
Point defect
;
Self-
interstitial
;
Molecular dynamics (MD)
;
Max-space clustering (MSC)
;
Nearest neighbor sphere (NNS)
;
Effective sphere (ES)
;
Fcc
;
Bcc
;
Cut-off
刊名:Journal of Nuclear Materials
出版年:2017
8.
Ab initio study of
interstitial
cluster interaction with Re, Os, and Ta in W
作者:
Wahyu Setyawan
;
wahyu.setyawan@pnnl.gov
;
Giridhar Nandipati
;
Richard J. Kurtz
关键词:
Fusion
;
Tungsten
;
Interstitial
cluster
;
Structure
;
Stability
;
Dissociation
;
Solute
;
Binding energy
;
Density functional theory
;
Finite-size scaling
;
Semicore states
;
Transmutation
;
Diffusion
刊名:Journal of Nuclear Materials
出版年:2017
9.
Kinetics of
interstitial
defects in α-Fe: The effect from uniaxial stress
作者:
Changwoo Kang
a
;
Qingyu Wang
b
;
Lin Shao
a
;
lshao@tamu.edu
关键词:
Molecular dynamics simulations
;
Strain
;
Defect clustering
;
Alpha Fe
刊名:Journal of Nuclear Materials
出版年:2017
10.
On the analysis of stage I in the resistivity recovery of electron irradiated iron
作者:
G. Apostolopoulos
a
;
gapost@ipta.demokritos.gr
;
Z. Kotsina
b
;
a
关键词:
Resistivity recovery
;
Iron
;
Electron irradiation
;
Diffusion
annealing theory
刊名:Journal of Nuclear Materials
出版年:2017
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