DY Sun
DY Sun
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Development of new interatomic potentials appropriate for crystalline and liquid iron
MI Mendelev, S Han, DJ Srolovitz, GJ Ackland, DY Sun, M Asta
Philosophical magazine 83 (35), 3977-3994, 2003
Crystal-melt interfacial free energies in hcp metals: A molecular dynamics study of Mg
DY Sun, MI Mendelev, CA Becker, K Kudin, T Haxhimali, M Asta, JJ Hoyt, ...
Physical Review B 73 (2), 024116, 2006
Crystal-melt interfacial free energies and mobilities in fcc and bcc Fe
DY Sun, M Asta, JJ Hoyt
Physical Review B 69 (17), 174103, 2004
Generalized simulated annealing algorithm and its application to the Thomson model
Y Xiang, DY Sun, W Fan, XG Gong
Physics Letters A 233 (3), 216-220, 1997
Kinetic coefficient of Ni solid-liquid interfaces from molecular-dynamics simulations
DY Sun, M Asta, JJ Hoyt
Physical Review B 69 (2), 024108, 2004
Pressure-induced hard-to-soft transition of a single carbon nanotube
DY Sun, DJ Shu, M Ji, F Liu, M Wang, XG Gong
Physical Review B 70 (16), 165417, 2004
Crystal-melt interfacial free energies in metals: fcc versus bcc
DY Sun, M Asta, JJ Hoyt, MI Mendelev, DJ Srolovitz
Physical Review B 69 (2), 020102, 2004
Atomistic simulations of nonequilibrium crystal-growth kinetics from alloy melts
Y Yang, H Humadi, D Buta, BB Laird, D Sun, JJ Hoyt, M Asta
Physical review letters 107 (2), 025505, 2011
Determination of the crystal-melt interface kinetic coefficient from molecular dynamics simulations
J Monk, Y Yang, MI Mendelev, M Asta, JJ Hoyt, DY Sun
Modelling and Simulation in Materials Science and Engineering 18 (1), 015004, 2009
The cooling rate dependence of crystallization for liquid copper: A molecular dynamics study
CS Liu, J Xia, ZG Zhu, DY Sun
The Journal of Chemical Physics 114 (17), 7506-7512, 2001
Generalized Simulated Annealing Studies on Structures and Properties of Nin (n = 255) Clusters
Y Xiang, DY Sun, XG Gong
The Journal of Physical Chemistry A 104 (12), 2746-2751, 2000
Influence of defects and dopants on the photovoltaic performance of Bi 2 S 3: first-principles insights
D Han, MH Du, CM Dai, D Sun, S Chen
Journal of Materials Chemistry A 5 (13), 6200-6210, 2017
Structural properties and glass transition in clusters
DY Sun, XG Gong
Physical Review B 57 (8), 4730, 1998
Local magnetic properties and electronic structures of 3d and 4d impurities in Cu clusters
Q Sun, XG Gong, QQ Zheng, DY Sun, GH Wang
Physical Review B 54 (15), 10896, 1996
Structure and phase transitions of single-wall carbon nanotube bundles under hydrostatic pressure
XH Zhang, DY Sun, ZF Liu, XG Gong
Physical Review B 70 (3), 035422, 2004
Molecular dynamics calculations of the crystal-melt interfacial mobility for hexagonal close-packed Mg
ZG Xia, DY Sun, M Asta, JJ Hoyt
Physical Review B 75 (1), 012103, 2007
Soft and hard shells in metallic nanocrystals
DY Sun, XG Gong, XQ Wang
Physical Review B 63 (19), 193412, 2001
Molecular dynamics simulations of the crystal–melt interfacial free energy and mobility in Mo and V
JJ Hoyt, M Asta, DY Sun
Philosophical Magazine 86 (24), 3651-3664, 2006
Cooling rate dependence of structural properties of aluminium during rapid solidification
CS Liu, ZG Zhu, J Xia, DY Sun
Journal of Physics: Condensed Matter 13 (9), 1873, 2001
Size-dependent melting behavior of iron nanoparticles by replica exchange molecular dynamics
Q Shu, Y Yang, Y Zhai, DY Sun, HJ Xiang, XG Gong
Nanoscale 4 (20), 6307-6311, 2012
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