Cited Article: Holt JK. Fast mass transport through sub-2-nanometer carbon nanotubes
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AU Guo, SH
Zhu, BE
Ou, XD
Pan, ZY
Wang, YX
AF Guo, S. H.
Zhu, B. E.
Ou, X. D.
Pan, Z. Y.
Wang, Y. X.
TI Deformation of gold-filled single-walled carbon nanotubes under axial
compression
SO CARBON
LA English
DT Article
ID METAL NANOWIRES; DEPOSITION; TUBES
AB Molecular dynamics simulations were used to investigate the deformation
behavior of gold-filled single-walled carbon nanotubes under axial
compression. The simulation results show that the buckling strength of
Au-filled carbon nanotubes is increased compared with that of a hollow
tube, and is similar to the effect of filling with gases or fullerenes.
The interactions between filling elements and the carbon wall help
restrain the collapse of the tube. With Au-filling, the filled tube
experiences an elastic-inelastic transition, somewhat like the behavior
of metals, which is different from the cases when it is filled with
gases or fullerenes, particularly for low filling density. Analysis of
the transition using the potential energy map showed that several Au
atoms began to slide before the strain reached the critical value. This
is more obvious in the stress concentration zone, where the original Au
bonds are first broken and then are re-formed with new neighbors. (C)
2010 Elsevier Ltd. All rights reserved.
C1 [Wang, Y. X.] Fudan Univ, Inst Modern Phys, Dept Nucl Sci & Technol, Shanghai 200433, Peoples R China.
Fudan Univ, Appl Ion Beam Phys Lab, Key Lab, Minist Educ, Shanghai 200433, Peoples R China.
RP Wang, YX, Fudan Univ, Inst Modern Phys, Dept Nucl Sci & Technol,
Shanghai 200433, Peoples R China.
EM yxwang@fudan.edu.cn
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NR 29
TC 0
PU PERGAMON-ELSEVIER SCIENCE LTD; THE BOULEVARD, LANGFORD LANE,
KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0008-6223
DI 10.1016/j.carbon.2010.07.023
PD NOV
VL 48
IS 14
BP 4129
EP 4135
SC Chemistry, Physical; Materials Science, Multidisciplinary
GA 656ZR
UT ISI:000282380300020
ER
PT B
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AU Fornasiero, F
Park, HG
Holt, JK
Stadermann, M
Kim, S
Bin In, J
Grigoropoulos, CP
Noy, A
Bakajin, O
AF Fornasiero, Francesco
Park, Hyung Gyu
Holt, Jason K.
Stadermann, Michael
Kim, Sangil
Bin In, Jung
Grigoropoulos, Costas P.
Noy, Aleksandr
Bakajin, Olgica
TI Nanofiltration of Electrolyte Solutions by Sub-2nm Carbon Nanotube
Membranes
SO CLEAN TECHNOLOGY 2008: BIO ENERGY, RENEWABLES, GREEN BUILDING, SMART
GRID, STORAGE, AND WATER
LA English
DT Proceedings Paper
DE carbon nanotube; membrane; ion exclusion; fast flow
ID WATER; TRANSPORT; GROWTH
AB Both MD simulations and experimental studies have shown that liquid and
gas flow through carbon nanotubes with nanometer size diameter is
exceptionally fast. For applications in separation technology,
selectivity is required together with fast flow. In this work, we use
pressure-driven filtration experiments to study ion exclusion in
silicon nitride/sub-2-nm CNT composite membranes as a function of
solution ionic strength, pH, and ion valence. We show that carbon
nanotube membranes exhibit significant ion exclusion at low salt
concentration. Our results support a rejection mechanism dominated by
electrostatic interactions between fixed membrane charges and mobile
ions, while steric and hydrodynamic effects appear to be less
important. Comparison with commercial nanofiltration membranes for
water softening reveals that our carbon nanotube membranes provides far
superior water fluxes for similar ion rejection capabilities.
C1 [Fornasiero, Francesco; Park, Hyung Gyu; Holt, Jason K.; Stadermann, Michael; Noy, Aleksandr; Bakajin, Olgica] LLNL, Biosci & Biotechnol Div, CMELS, Livermore, CA 94550 USA.
RP Fornasiero, F, LLNL, Biosci & Biotechnol Div, CMELS, Livermore, CA
94550 USA.
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NR 17
TC 0
PU CRC PRESS-TAYLOR & FRANCIS GROUP; 6000 BROKEN SOUND PARKWAY NW, STE
300, BOCA RATON, FL 33487-2742 USA
BP 380
EP 383
GA BRC37
UT ISI:000282341400100
ER
PT B
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AU Glosli, JN
Caspersen, KJ
Gunnels, JA
Richards, DF
Rudd, RE
Streitz, FH
AF Glosli, J. N.
Caspersen, K. J.
Gunnels, J. A.
Richards, D. F.
Rudd, R. E.
Streitz, F. H.
TI Extending Stability Beyond CPU Millennium A Micron-Scale Atomistic
Simulation of Kelvin-Helmholtz Instability
SO 2007 ACM/IEEE SC07 CONFERENCE
LA English
DT Proceedings Paper
ID EMBEDDED-ATOM METHOD; STRATIFIED COMPRESSIBLE FLOWS; TRANSITION-METALS;
BILLOWS; ALGORITHMS; BREAKDOWN; EVOLUTION; DYNAMICS; SYSTEMS; MODEL
AB We report the computational advances that have enabled the first
micron-scale simulation of a Kelvin-Helmholtz (KH) instability using
molecular dynamics (MD). The advances are in three key areas' for
massively parallel computation such as on BlueGene/L (BG/L): fault
tolerance, application kernel optimization, and highly efficient
parallel I/O. In particular, we have developed novel capabilities for
handling hardware parity errors and improving the speed of inter-atomic
force calculations, while achieving near optimal I/O speeds on BG/L,
allowing us to achieve excellent scalability and improve overall
application performance. As a result we have successfully conducted a
2-billion atom KH simulation amounting to 2.8 CPU-millennia of run
time, including a single, continuous simulation run in excess of 1.5
CPU-millennia. We have also conducted 9-billion and 62.5-billion atom
KH simulations. The current optimized ddcMD code is benchmarked at
115.1 TFlop/s in our scaling study and 103.9 TFlop/s in a sustained
science run, with additional improvements ongoing. These improvements
enabled us to run the first MD simulations of micron-scale systems
developing the KH instability.
C1 [Glosli, J. N.; Caspersen, K. J.; Richards, D. F.; Rudd, R. E.; Streitz, F. H.] Lawrence Livermore Natl Lab, Livermore, CA USA.
RP Glosli, JN, Lawrence Livermore Natl Lab, Livermore, CA USA.
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NR 38
TC 0
PU IEEE; 345 E 47TH ST, NEW YORK, NY 10017 USA
BP 86
EP 96
GA BRD03
UT ISI:000282385500009
ER
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