Deyan Sun

发表

Molecular dynamics calculations of the crystal-melt interfacial mobility for hexagonal close-packed Mg

J. Hoyt, M. Asta, Z. Xia, 2007 .

Ab-initio molecular dynamics simulation on nano-system under external pressure

X. Gong, Deyan Sun, M. Ji, 2004 .

Pressure-induced hard-to-soft transition of a single carbon nanotube.

X. Gong, Mu Wang, Feng Liu, 2004 .

Ion Distribution and Hydration Structure at Solid–Liquid Interface between NaCl Crystal and Its Solution

F. Liu, Deyan Sun, Feng Liu, 2019, ACS omega.

Role of Atomic-Scale Simulation in the Modeling of Solidification Microstructure

J. Hoyt, M. Asta, Deyan Sun, 2003 .

Structure and phase transitions of single-wall carbon nanotube bundles under hydrostatic pressure

X. Gong, Xiaohua Zhang, Deyan Sun, 2004 .

Pressure-induced structural transformation of CdSe nanocrystals studied with molecular dynamics

X. Gong, Deyan Sun, X. Ye, 2008 .

The structure and stability of clusters on surfaces

X. Gong, Deyan Sun, 1997 .

First-principles study on the phase transitions, crystal stabilities and thermodynamic properties of TiN under high pressure

Yongliang Guo, X. Ke, Deyan Sun, 2018 .

Crystal-melt interfacial free energies and mobilities in fcc and bcc Fe

Mark Asta, Jeffrey J. Hoyt, J. Hoyt, 2004 .

Influence of defects and dopants on the photovoltaic performance of Bi2S3: first-principles insights

Shiyou Chen, M. Du, Deyan Sun, 2017 .

Chemical Trend of Transition-Metal Doping in WSe2

Wenmei Ming, Shiyou Chen, M. Du, 2019, Physical Review Applied.

Crystal-melt interfacial free energies in hcp metals: A molecular dynamics study of Mg

A. Karma, K. Kudin, T. Haxhimali, 2006 .

Crystal-melt interfacial free energies in metals: fcc versus bcc

D. Srolovitz, J. Hoyt, M. Asta, 2004 .

Kinetic coefficient of Ni solid-liquid interfaces from molecular-dynamics simulations .

Mark Asta, Jeffrey J. Hoyt, J. Hoyt, 2004 .

Generalized Simulated Annealing Studies on Structures and Properties of Nin (n ) 2-55) Clusters

X. Gong, Y. Xiang, Deyan Sun, 2000 .

Generalized simulated annealing algorithm and its application to the Thomson model

X. Gong, Y. Xiang, Deyan Sun, 1997 .

Glass transition in disordered clusters

X. Gong, D. Sun, Deyan Sun, 2019, Physics Letters A.

Cooling rate dependence of structural properties of aluminium during rapid solidification

Zhao-jie Zhu, J. Xia, Deyan Sun, 2001 .

Atomistic simulations of nonequilibrium crystal-growth kinetics from alloy melts.

B. Laird, J. Hoyt, M. Asta, 2011, Physical review letters.

First-Principles Study of Structural and Electronic Properties of Monolayer PtX2 and Janus PtXY (X, Y = S, Se, and Te) via Strain Engineering

Xiaohao Zhou, Deyan Sun, Xiaoshuang Chen, 2023, ACS omega.

Establishing simple relationship between eigenvector and matrix elements

Deyan Sun, W. Pan, Jing Wang, 2020, Physics Letters A.

A new strategy for directly calculating the minimum eigenvector of matrices without diagonalization

Deyan Sun, W. Pan, Jing Wang, 2019, Scientific Reports.

Production of spin-semiconducting zigzag graphene nanoribbons by constructing asymmetric notch on graphene edges

Q. Yuan, Deyan Sun, Wenhao Hu, 2015, 1508.03098.

A subtle structure evolution of metal-adsorbed water bilayer and the effect of dispersion correction

Feng Liu, X. Duan, Deyan Sun, 2021 .

The cooling rate dependence of crystallization for liquid copper: A molecular dynamics study

J. Xia, Deyan Sun, Zhen-Gang Zhu, 2001 .

Intrinsic disorder of dangling OH-bonds in the first water layer on noble metal surfaces

Feng Liu, X. Duan, Deyan Sun, 2022, Computational Materials Science.

A molecular-dynamics study of the anisotropic surface-melting properties of Al(110)

X. Gong, W. Lau, Deyan Sun, 1999 .

Cluster on the fcc(111) surface: structure, stability and diffusion

X. Gong, Deyan Sun, 2000 .

Defect MoS Misidentified as MoS2 in Monolayer MoS2 by Scanning Transmission Electron Microscopy: A First-Principles Prediction.

Deyan Sun, Yuning Wu, Zenghua Cai, 2023, The journal of physical chemistry letters.

Prediction of structural evolution for clusters: The pair potential cases

X. Gong, Deyan Sun, Yan Yang, 2009 .

Soft and hard shells in metallic nanocrystals

X. Gong, Deyan Sun, Xiao-Qian Wang, 2001 .

Formation of Graphene Grain Boundaries on Cu(100) Surface and a Route Towards Their Elimination in Chemical Vapor Deposition Growth

Feng Ding, Qinghong Yuan, Guangyao Song, 2014, Scientific Reports.

Structural properties and glass transition in Al n clusters

X. Gong, Deyan Sun, 1998 .

Strain Induced Quantum Effect in Semiconductors

X. Gong, X. Duan, Shiyou Chen, 2012 .

Pressure-induced structural transition of double-walled carbon nanotubes

X. Gong, Deyan Sun, X. Ye, 2005 .

Stability of Two-Dimensional Ionic Clusters at Solid-Liquid Interfaces.

Feng Liu, Deyan Sun, Diao Zhao, 2021, Langmuir : the ACS journal of surfaces and colloids.

Local strain induced anisotropic diffusion on (23×3)-Au(1 1 1) surface

Deyan Sun, X. Gong, Y. Liu, 2002 .

Predicting the thermodynamic stability of double-perovskite halides from density functional theory

Dan Han, Menglin Huang, Mao-Hua Du, 2018, APL Materials.

Melting and glass transition for Ni clusters.

Deyan Sun, Xianghua Zeng, Haiyan Zhang, 2007, The journal of physical chemistry. B.

Slowing Hot-Electron Relaxation in Mix-Phase Nanowires for Hot-Carrier Photovoltaics.

Xiaohao Zhou, Weida Hu, L. Fu, 2021, Nano letters.

Development of new interatomic potentials appropriate for crystalline and liquid iron

Seungwu Han, G. Ackland, D. Srolovitz, 2003 .

Molecular dynamics simulations of the crystal–melt interface mobility in HCP Mg and BCC Fe

J. Hoyt, M. Asta, Yang Yang, 2010 .

Wetting of Liquid Iron in Carbon Nanotubes and on Graphene Sheets: A Molecular Dynamics Study

Yang Yang, Deyan Sun, Y. Gao, 2011 .

Interatomic potential fitted for lead

X. Gong, Y. Xiang, Deyan Sun, 1999 .

The collapse of an elastic tube induced by encapsulated liquid droplets

Q. Yuan, Yang Yang, Deyan Sun, 2013 .