Technical

Program
Announcement:
1) Because the conference room will provide a 16:9 LED
screen (with the size about 36 m2), we are strongly asking
each oral speaker to prepare for a PowerPoint screen style
with a 16:9 ratio (rather than a traditional 4:3 ratio).
2) The size of POSTER is 80 cm 120 cm.

Technical Program
CDSM 2015
Tuesday (Morning), August 18th (Room A+B)
(Chair: Yiyi Li)
Opening remarks
Chair: Baicheng Liu

8:30-9:00
9:00--9:40

Atomistic modeling of crystal nucleation and growth

[Invited, O-1]

Michele Parrinello (ETH, Zurich)

9:40-10:20

VASP: Past, present, future

[Invited, O-2]

Martijn Marsman, Georg Kresse (University of Vienna, Austria)

10:20-10:50

Coffee Break (Photo together)

Chair: Nanxian Chen

10:50-11:30

Blending experiments and simulation in hierarchical design of materials

[Invited, O-3]

David L. McDowell ( Georgia Institute of Technology, USA)

11:30-12:00

Multi-scale simulations and applications of metallic alloys

[Invited, O-4]

Yiyi Li, Dianzhong Li, Xing-Qiu Chen (IMR,CAS, China)

12:00-13:00
13:00-14:00

Lunch (Room C)
POSTER SESSION

Tuesday (Afternoon), August 18th

Session A: Atomistic simulations (Room A)
Co-Chairs: Xingao Gong + Martijn Marsmann
14:00-14:20

Conversion of internal freedom of an alloy to configurational freedom

[Invited, O-5]

within CVM
Tetsuo Mohri (Tohuko University, Japan)

14:20-14:40

A molecular dynamics simulation of alloy carbide cluster formation

[Invited, O-6]

Yanan Lv, Weimin Gao, Peter Hodgson, Lingxue Kong (Deakin University,
Austrialia)

14:40-15:00

The theoretical design of novel two-dimensional topological materials

[Invited, O-7]

Yugui Yao (Beijing Institute of Technology, China)

15:00-15:20

Understanding strongly correlated transition-metal oxides

[Invited, O-8]

Eva Pavarini (Forschungszentrum Juelich, Germany)

15:20-15:35

Role of cooperative interactions in the intercalation of heteroatoms

[Invited, O-9]

between graphene and a metal substrate

Shixuan Du (Institute of Physics, China)

15:35-15:50

Engineering giant magnetic anisotropy in magnetic nanostructures

[Invited, O-10]

Jun Hu, 2Ruqian Wu (1Soochow University, China 2University of California

Irvine, America)
15:50-16:10

Coffee Break

16:10-16:30

Understanding the structure and fast reversible phase transition of

Co-Chairs: Yugui Yao + Cesare Franchini

[Invited, O-11]

chalcogenide phase-change materials by theoretical calculations

Zhimei Sun (Beihang University, China)

16:30-16:50
[Invited, O-12]
16:50-17:10
[Invited, O-13]

Ultrathin magnetite films across the Verwey transition

Silvia Gallego (Instituto de Ciencia de Materiales de Madrid, CSIC, Spain)
Modelling perovskite photovoltaic devices through accurate GW and BSE
calculations
Paolo Umari (University of Padova, Italy)

17:10-17:25
[Invited, O-14]
17:25-17:40
[Invited, O-15]

Computational design of new optoelectronic materials

Lijun Zhang (Jilin University, China)
Implementation of co-evolutionary algorithm in USPEX
Zahed Allahyari, Artem Oganov (Moscow Institute of Physics and Technology,
Russia)

17:40-17:55
[Invited, O-16]

Elastic constants of random solid solutions by SQS and CPA approaches:

the case of fcc Ti-Al
1

Li-Yun Tian, 2Qing-Miao Hu, 3Jijun Zhao, 4Borje Johansson, 5Levente Vitos

(1Royal Insitute of Technology, Sweden; 2IMR, CAS, China; 3Dalian University

of Technology, China; 4 Uppsala University, Sweden; 5 Research Institute for
Solid State Physics and Optics, Hungary)
17:55-18:10
[Invited, O-17]
18:30-21:00

The water effect on the advanced functional materials

Li-Min Liu (Beijing Computational Science Research Center, China)
Banquet (Room C)

Tuesday (Afternoon), August 18th

Session B: Meso/Macro-scale Simulations (Room B)
Co-Chairs: Menghuai Wu + Xishan Xie
14:00-14:20
[Invited, O-18]

Phase-field prediction of ferroic domain structures

Long-Qing Chen (Pennsylvania State University, USA)

14:20-14:40

Thermodynamic and thermophysical databases of multicomponent Al alloys

[Invited, O-19]

and their application to phase-field simulation of microstructure evolution

in A2214 alloy during solidification
Ming Wei, Ying Tang, Lijun Zhang, Yong Du (Central South University, China)

14:40-15:00
[Invited, O-20]

Modeling of GaS-GaSe phase diagram and properties of materials

1

MirSalim Asadov, 1Asmet Azizova, 2Sevinj Imamverdieva, 1Dilgam Tagiyev

(1Institute of Catalysis and Inorganic Chemistry ANAS, 2Institute of Control

Systems, Azerbaijan)
15:00-15:20
[Invited, O-21]

Multiscale numerical modelling of fusion welding and liquid metal

conditioning
Mingming Tong, David Browne (University College Dublin, Ireland)

15:20-15:35
[Invited, O-22]

Phase field crystal simulation of dislocation movement and annihilation

mechanism under strain at high temperature
Yingjun Gao (Guangxi University, China)

15:35-15:50
[Invited, O-23]

Micro and mesoscopic simulations of shock induced phase transition of iron

1,2

Wenjun Zhu, 1,3Kun Wang, 1Jidong Yu, 1,2Zhipeng Lu, 1,2Wenqiang Wang,

1,2

Kaiguo Chen, 3Wangyu Hu,

1,2

Hongliang He (1CAEP, China,

Sichuan University, China, 3Hunan University, China)

15:50-16:10

Coffee Break

Co-Chairs: Tongmin Wang+ Qingyan Xu

16:10-16:30
[Invited, O-24]

Integrated numerical simulation of plasma arc, weld pool and keyhole

behaviors
Chuansong Wu (Shandong University, China)

16:30-16:50
[Invited, O-25]

Coupled temperature-microstructure-stress analyses of procedure

qualification test welds for nuclear reactor pressure vessels
Mengnie Li, Ying Zhang, Ying Yang (China First Heavy Industries, China)

16:50-17:10
[Invited, O-26]

A modified phase field crystal model for solid-liquid phase transition

Jincheng Wang, Can Guo, Junjie Li, Zhijun Wang (Northwestern Polytechnical
University, China)

17:10-17:25
[Invited, O-27]

Perturbation analysis of the solidification problem for a sphere in Porous

media
Rahul Basu (VTU, India)

17:25-17:40
[Invited, O-28]
17:40-17:55
[Invited, O-29]

Phase-field simulations of the gamma-prime rafting during creep tests

of nickel-based single crystal superalloys
Hua Wei, Hongyu Zhang, Tao Jin, Xiaofeng Sun(IMR, CAS, China)
Influence of temperature gradients on widening and temperature evolution
in hot compression simulation
Baohui Tian (Bohler Special Steel, Austria)

17:55-18:10
[Invited, O-30]
18:30-21:00

Water-induced bimetallic alloy surface segregation

Beien Zhu, Yi Gao (Shanghai Institute of Applied Physics, CAS, China)
Banquet (Room C)

Wednesday (Morning), August 19th

Session A: Atomistic simulations (Room A)
Co-Chairs: Zhimei Sun + Eva Pavarini
8:20-8:40
[Invited, O-31]
8:40-9:00
[Invited, O-32]

Inverse design and computational studies of novel solar energy materials

Xingao Gong (Fudan University, China)
Discovering new phenomena and new materials with evolutionary structure
prediction
Artem R. Oganov (Skoltech, Russia)

9:00-9:20
[Invited, O-33]

First-principles modelling of NdOx phase formation at Nd/Nd-Fe-B

interface
Ying Chen, Arkapol Saengdeejing, Masashi Matsuura, Satoshi Sugimoto
(Tohoku University, Japan)

9:20-9:35
[Invited, O-34]

A molecular mechanism of dissolution and absorption in alkaline treatment

of zeolite
Yi Liu (Shanghai University, China)

9:35-9:50
[Invited, O-35]

Diagrammatic approach to ground-state and excitation energies from first

principles
Xinguo Ren (University of Science and Technology of China, China)

9:50-10:05
[Invited, O-36]

Diverse electron-deficient boron networks in transition metals polyborides

TMBx (M=V,Co, Rh and Ir)
Lailei Wu, Yachun Wang, Huiyang Gou (Yanshan University, China)

10:05-10:20
[Invited, O-37]

Interpreting core-level spectra of oxidizing phosphorene: Theory and

experiment
1

Teng Yang, 1Baojuan Dong, 1Jizhang Wang, 1Zhidong Zhang, 2Jie Guan, 3Kaci

Kuntz, 3Scott Warren, 2David Tomanek (1IMR, CAS, China, 2Michigan State
University, 3University of North Carolina at Chapel Hill, USA)
10:20-10:40

Coffee Break

Co-Chairs: Koretsune Takashi + Artem R. Oganov

10:40-11:00
[Invited, O-38]

Small and large polarons in TiO2 rutile and anatase surfaces

1

Cesare Franchini, 1Xianfeng Hao, 1Georg Kresse, 2Martin Setvin, 2Michael

Schmid, 2Ulrike Diebold (1University of Vienna, 2Vienna University of

Technology, Austria)
11:00-11:15
[Invited, O-39]

Understanding the magnetism and superconductivity in iron-based

superconductors from density functional theory
Yu-Zhong Zhang (Tongji University, China)

11:15-11:30
[Invited, O-40]

First-principles study of Dzyaloshinskii-Moriya interaction in chiral

magnets
Takashi Koretsune, Naoto Nagaosa, Ryotaro Arita (RIKEN, Japan)

11:30-11:45
[Invited, O-41]

Semiconductor materials Genome initiative: inverse design silicon

nanomaterials
Jun-Wei Luo, Shu-Shen Li (Institute of Semiconductors, China)

11:45-12:00

Energy transport in light harvesting molecules

1

Satoshi Ohmura, 2Kenji Tsuruta, 3Fuyuki Shimojo, 4Aiichiro Nakano

[Invited, O-42]

(1Hiroshima Institute of Technology, 2Okayama University, 3Kumamoto

University, Japan, 4University of Southern California, USA)
12:00-13:00

Lunch (Room C)

13:00-14:00

POSTER SESSION

Wednesday (Morning), August 19th

Session B: Meso/Macro-scale Simulations (Room B)
Co-Chairs: Long-Qing Chen + Yong Du
8:20-8:40
[Invited, O-43]

Modeling of microporosity formation during alloy solidification

1

Mingfang Zhu, 1Taotao Wang, 1Qingyu Zhang, 2Dongke Sun (1Southeast

University, 2Shanghai Jiao Tong University, China)

8:40-9:00
[Invited, O-44]

Investigation on dendritic growth of Fe-0.82wt%C alloy using a twodimensional CA-FVM model

Miao-yong Zhu, Wei-ling Wang, Sen Luo (Northeastern University, China)

9:00-9:20
[Invited, O-45]

Meshless methods in modelling of materials and processes

ARLER Boidar, Robert Vertnik, Agnieszka Lorbiecka, Katarina Mramor,
Qingguo Liu, Umut Hanoglu, Mavri Botjan, Hati Vanja, Igor Vuanovi, Wag
Kai, Shiting Wen (University of Nova Goric, Slovenia, University of
Montenegro, Montenegro, Taiyuan University of Technology, China)

9:20-9:35
[Invited, O-46]

Simulation of directional solidification of refined Al-7 wt.% Si alloys

Comparison with benchmark microgravity experiments
1

Dong Rong Liu, 2Nathalie Mangelinck-Nol, 3Charles Andre Gandin, 4Garhard

Zimmermann, 4Laszlo Sturz , 2Henri Nguyen-Thi, 2Bernard Billia (1Harbin

University of Science and Technology, China, 2IM2NP, CNRS, France,
3
MINES,CNRS, France, 4ACCESS, Germany)
9:35-9:50
[Invited, O-47]

Grain boundary segregation of impurity in bicrystal silicon

1

Kai Tang, 1Qiang Du, 1Xiang Ma, 2Zi-Kui Liu (1SINTEF, Norway, 2Penn State

University, USA)
9:50-10:05
[Invited, O-48]

The

quantitative

phase-field

simulation

of

discontinuous

dynamic

recrystallization behavior in 304 stainless steel

1

Namin Xiao, 2Peter Hodgson, 3Dianzhong Li (1Beijing Institute of Aeronautical

Materials, China, 2Deakin University, Australia, 3IMR,CAS, China)

10:05-10:20
[Invited, O-49]

Phase-field modeling of liquid droplet migration under static and dynamic

conditions
1

Shiyan Pan, 2Mingfang Zhu, 3Markus Rettenmayr (1Nanjing University of Science

and Technology, 2Southeast University, China, 3Friedrich Schiller University,

Germany)
10:20-10:40

Coffee Break

Co-Chairs: Mengnie Li + Mingfang Zhu

10:40-11:00
[Invited, O-50]

Modelling as-cast structure, macrosegregation and shrink-age cavity in

industry steel ingots
Menghuai Wu, A. Kharicha, A. Ludwig (University of Leoben, Austria)

11:00-11:20
[Invited, O-51]

Numerical simulation of LMC directional solidification of ni-based

superalloy industrial gas turbine blades casting
Qingyan Xu, Ning Tang, Baicheng Liu (Tsinghua University, China)

11:20-11:40
[Invited, O-52]
11:40-12:00
[Invited, O-53]

Numerical simulations of twin-roll casting for production of bi-metal sheets

Jong-Jin Park (Hongik University, South Korea)
The effect of a rotating electromagnetic field on the horizontal continuous
casting process for preparing clad hollow billets
Tongmin Wang (Dalian University of Technology, China)

12:00-13:00

Lunch (Room C)

13:00-14:00

POSTER SESSION

Wednesday (Afternoon), August 19th

Session A: Atomistic simulations (Room A)
Co-Chairs: Koch Erik + Ying Chen
13:40-14:00
[Invited, O-54]
14:00-14:20
[Invited, O-55]
14:20-14:40
[Invited, O-56]
14:40-14:55
[Invited, O-57]
14:55-15:10
[Invited, O-58]
15:10-15:25
[Invited, O-59]

Carrier doped Jeff=1/2 Mott insulator for layered perovskite iridates

Seiji Yunoki (RIKEN, Japan)
Effects of external fields on electronic properties of silicene
Jun Ni (Tsinghua University, China)
Large-scale molecular dynamics simulation of solidification
Yasushi Shibuta, (The University of Tokyo, Japan)
Stochastic sampling for the analytic continuation of imaginary-time data
Erik Koch (German Research School for Simulation Sciences, Germany)
Phonon engineering in advanced ceramics: challenges and opportunities
Jingyang Wang (IMR, CAS, China)
Ground state phase diagram of the Hubbard model on the triangular lattice
at half-filling
1,2,3

Tomonori Shirakawa, 4Takami Tohyama, 2Shigetoshi Sota, 1,2,3Seiji Yunoki

(1RIKEN CEMS, 2RIKEN AICS, 3Computational Condensed Matter Physics

Laboratory, RIKEN, 4Tokyo University of Science, Japan )
15:25-15:40
[Invited, O-60]

-Fe2O3 visible light responsive photocatalyst for water splitting:

theoretical predictions and experiments
Gaowu Qin, Xiangying Meng, Song Li, Haijun Pan (Northeastern University,
China)

15:40-16:00

Coffee Break

Co-Chairs: Yi Liu + Sangiovanni Giogio

16:00-16:20
[Invited, O-61]

Topological Semimetals: Weyl, Dirac and Node-line Semimetals predicted

by using OpenMX
Hongming Weng (Institute of Physics, CAS, China; Collaborative Innovation
Center of Quantum Matter, China)

16:20-16:40
[Invited, O-62]

First-order character and observable signatures of topological quantum

phase transitions
Sangiovanni Giorgio (University of Wuerzburg, Germany)

16:40-16:55
[Invited, O-63]

Prediction of the fine microstructure and mechanical properties of alloy

phase and compound based on site preference
Bo Wu, Baisheng Sa, Qiong Peng, Zhenyi Wei, Yuan Fang, Dengxian Liu
(Fuzhou University, China)

16:55-17:10
[Invited, O-64]

Computational investigation of the structural and electronic properties of

Gd-doped HfO2
1

Ligen Wang, 1,2W. Xiao , 1Y. H. Xiong, J1. W. Wang, 1L. Chen, 1J. Huang

(1General Research Institute for Nonferrous Metals, 2University of Science and

Technology Beijing, China)
17:10-17:25
[Invited, O-65]

Catalytic activity of MS2 monolayer for electrochemical hydrogen evolution

1

Xiaoli Fan, 1Pin Xiao, 2WoonMing Lau (1Northwestern Polytechnical

University, 2Chengdu Green Energy and Green Manufacturing Technology

R&D Center, China)
17:25-17:40
[Invited, O-66]

Fermi surface of Sr2RuO4: Role of anisotropic Coulomb interaction and

Coulomb-enhanced spin-orbit coupling
Guoren Zhang, Evgeny Gorelov, Esmaeel Sarvestani, Eva Pavarini (Institute for
Advanced Simulation, Germany)

18:00-21:00

Banquet (Room C)

Wednesday (Afternoon), August 19th

Session B: Meso/Macro-scale Simulations (Room B)
Co-Chairs: Haiwen Luo + Jincheng Wang
13:40-14:00
[Invited, O-67]
14:00-14:20
[Invited, O-68]

Progress in multi-scale modeling

Zi-Kui Liu (The Pennsylvania State University, USA)
Material design and development: From classical thermodynamics to
CALPHAD and ICME approaches
Alan Luo (The Ohio State University, USA)

14:20-14:40
[Invited, O-69]

Simulation of microstructure evolution in industrial Mg alloys by phase

field approach and application significances
1

Bernie Yaping Zong, 1R. He2X. G. Zhang, 1J. F. Jin, 1M. T. Wang

(1Northeast University, 2Shenyang University of Chemical Technology, China)

14:40-14:55
[Invited, O-70]

Modeling microstructure evolution during casting and homogenization heat

treatment of industrial aluminum alloys
Qiang Du (SINTEF Materials and Chemistry, Norway)

14:55-15:10

Efficiently annihilating vacancies near grain boundaries via competitive

[Invited, O-71]

diffusion of interstitials along grain boundaries and in bulk in nano-crystal

iron
Xiangyan Li, Changsong Liu (Institute of Solid State Physics, CAS, China)

15:10-15:25
[Invited, O-72]

Multiscale modeling of radiation induced microstructure evolution in

reactor pressure vessel steels
Xinfu He, Shi Wu, Lixia Jia, Wen Yang (China Institute of Atomic Energy,
China)

15:25-15:40
[Invited, O-73]

Computational design and simulation of precipitate

1

Qing Chen, 2Kaisheng Wu, 1Johan Bratberg, 1Anders Engstrm, 2Paul Mason

(1Thermo-Calc Software AB, 2Thermo-Calc Software Inc, Sweden)

15:40-16:00

Coffee Break

Co-Chairs: Chuansong Wu + Miao-yong Zhu

16:00-16:20

Deformation simulation of castings based on mold surface element method

[Invited, O-74]

Tao Chen, Dunming Liao, Shengyong Pang, Jianxin Zhou, Yajun Yin, Liu Cao
(Huazhong University of Science and Technology, China)

16:20-16:40
[Invited, O-75]

Enhancement of AISI 304 formability by pulsating loading Material

modelling and determination of FLDs for pulsating loads
1,2

Karl Brian Nielsen, 1Benny Endelt, 2Shi-Hong Zhang, 2Ming Cheng, 2Shuai-

Feng Chen, 2Yong Xu (1Aalborg University, Denmark, 2IMR, CAS, China)

16:40-16:55
[Invited, O-76]

Simulation of shear banding and texture evolution in fcc-fcc heterophase

co-deformation
1

Nan Jia, 2Franz Roters, 2Philip Eisenlohr, 2Dierk Raabe, 1Xiang Zhao,

(1Northeastern University, China, 2Max-Planck-Institut fr Eisenforschung,

Germany)
16:55-17:10
[Invited, O-77]

Nanowire kinking during Vapor-liquid-solid growth microstructure

1

Yanming Wang, 1Yanying Li, 2Seunghwa Ryu, 1Paul McIntyre, 1Wei Cai

(1Stanford University, USA, 2Korea Advanced Institute of Science and

Technology, South Korea)
17:10-17:25
[Invited, O-78]

Mathematical simulation on the immersion side-blowing in iron-bath

reduction furnace with C and H2 reduction agents
Dongyan Wang, Weizhong Jiang (Baoshan Iron & Steel CO.,LTD, China)

17:25-17:40
[Invited, O-79]

Formation of bcc and fcc during the coalescence of free and supported Fe
and Ni clusters
Guojian Li, Qiang Wang, Xudong Sui, Kai Wang, Chun Wu, Jicheng He
(Northeastern University, China)

18:00-21:00

Banquet (Room C)

Poster Sessions
Time: 18-19 Aug 2015
The Hall of Conference Room
P-1

P-2

Effects of Zn atoms on the basal dislocation in magnesium solution from

Peierls-Nabarro model
Touwen Fan, Jianghua Chen, Linghong Liu, Dingwan Yuan, Yong Zhang, Bing
Zhou (Hunan University, China )
Stability of transition metal nanoparticles: cerium oxide
1
Xiaohu Yu, 1Gabriele Saleh, 1Anastasia Naumova, 2Artem Oganov (1MIPT,
2

P-3
P-4

P-5

P-6

P-7

P-8

MIPT, Skolkovo institute of science and technology, Russia)

Machine learning scheme for fast extracting important chemical information
Pavel Dolgirev, Ivan Kruglov (MIPT, Russia)

Mechanical properties depending on valence electron concentration of

tungsten alloys from first-principles calculations
Xin Wu, Jianhong Dai, Yan Song (Harbin Institute of Technology (Weihai),
China)
Cocrystals of bioactive molecules
Valery Roizen, Anastasia Naumova, Artem Oganov (Moscow Institute of Physics
and Technology, Russia)
Realization of a reversible switching in TaO2 polymorphs via Peierls
distortion for resistance random access memory
Linggang Zhu, Jian Zhou, Zhonglu Guo, Zhimei Sun ( Beihang University,
China )
Lattice dynamics of Ti3C2 and Ti3C2T2 (T = O, F, OH) monosheets by firstprinciples calculations and Raman spectroscopy
Tao Hu, Xiaohui Wang, Jiemin Wang, Hui Zhang, Zhaojin Li, Minmin Hu (IMR,
CAS, China)
Calculation of the equilibrium constant of solutions containing platinum (II)
complex
1

P-9

P-10

MirSalim Asadov, 1Asmet Azizova, 2Sevinj Imamverdieva, 1Dilgam Tagiyev

(1Institute of Catalysis and Inorganic Chemistry ANAS, 2Institute of Control
Systems, Azerbaijan)
High-throughput calculations of the site occupation behaviors of alloying
elements in titanium aluminides
Lihua Ye, Dongsheng Xu, Rui Yang (IMR, CAS, China)
Combined fast reversible liquid-like elastic deformation with topological

P-11

P-12

P-13

P-14

P-15

P-16

P-17

P-18

P-19

P-20

P-21

phase transition of Na3Bi

Ronghan Li, Xiyue Cheng, Dianzhong Li, Yiyi Li, Xing-Qiu Chen (IMR, CAS,
China)
On the W-B binary phase diagram: a long-history puzzling problem resolved
Xiyue Cheng, Xing-Qiu Chen, Haiyang Niu, Dianzhong Li, Yiyi Li(IMR, CAS,
China)
Unraveling stable vanadium tetraboride and triboride by first-principles
computations
Lailei Wu, Jingwu Zhang, Huiyang Gou, (Yanshan University, China)
First-principles research on thermal strain mechanism of ferrite nucleation
induced by magnesium oxide inclusions
Yanhui Hou, Guangqiang Li (Wuhan University of Science and Technology,
China)
Hydrogen storage property of Mg/Ti/Mg interface structure A DFT study
Ruiwen Xie, Jianhong Dai, Yuying Chen, Yan Song (Harbin Institute of
Technology (Weihai), China)
First principles study on stability and hydrogen adsorption properties of
Mg/Ni interface
Yuying Chen, Jianhong Dai, Ruiwen Xie, Yan Song (Harbin Institute of
Technology (Weihai), China)
First-Principles study of thermodynamical and elastic properties of
(Cu,Co)6Sn5 ternary alloys
Xuechao Zhang, Xiuchen Zhao, Bing Zheng,( Beijing Institute of Technology,
China)
Structure and stability of oxidized epitaxial graphene by a density functional
theory study
Si Zhou (Dalian University of Technology, China)
Thermodynamic database for Mg based alloy systems
Libin Liu, Ligang Zhang, Haiying Qi, Guoxing Huang, Yong Du, Zhanpeng Jin
(Central South University, China)
First-principles modeling of anisotropic corrosion behaviors for metals or
alloys
Hui Ma, Junhua Dong, Xing-Qiu Chen (IMR, CAS, China)
The electronic structures of phosphorene under strains
1
Baisheng Sa, 2Zhimei Sun, 3Yan-Ling Li, 1Bo Wu (1Fuzhou University, 2Beihang
University, 3Jiangsu Normal University, China)
The heredity of icosahedrons: a kinetic factor affecting GFA of rapidly
solidified CuxZr100-x alloys

P-22

P-23

P-24

P-25

P-26

P-27

P-28

P-29

P-30
P-31
P-32

P-33

Da-dong Wen, Ping Peng (Hunan University, China)

Studies on the quantitative composition design of alloys with the use of the
empirical electronic theory of solids and molecules
1
Cheng Lin, 1Guili Yin, 2Yongqing Zhao (1Liaoning University of Technology,
2
Northwest Institute for Nonferrous Metal Research, China)
Modeling of ferrite-austenite phase transformation in low-carbon steels
1
Dong An, 2Shiyan Pan, 1Ting Dai, 3Bruce Krakauer, 1Mingfang Zhu (1Southeast
University, China, 2Nanjing University of Science and Technology, China, 3AO
Smith Corporate Technology Center , USA)
Finite element analysis of shape change and non-uniform densification of
titanium alloys powder during hot isostatic pressing
1
Ruipeng Guo, 2Jie Wu, 2Lei Xu, 2Rui Yang,(1IMR, CAS, 2Northeastern
University, China)
Interpolation of experimental results for heat capacities of thallium and
cobalt aluminates
Oleg Chizhko (DECHEMA, Russian Fed)
Study on jet behaviors of converter oxygen lance at the critical working
pressure
Yanchun Lv (Shougang Research Institute of Technology, China)
Investigations of the mechanical properties for the Zr-X (X=Ti,Hf and Sc)
solid solutions
Sunchao Huang (Institute of Solid State Physics, CAS, China)
Distribution of magnetic field within horizontal cold crucible by high
frequency electromagnetic inducing
Jun Huang, Qingbo Ren, Dong Chen, Daqiao Meng (China Academe of
Engineering and Physics, China)
Temperature field simulation of continuous casting square billet during
induction heating process for bar line
Tianwu Liu, Hongqiang Liu, Ziliu Xiong (Hebei Iron & Steel Technology
Research Institute, China)
Probability distribution and fuzzy system based on triple I algorithm
Hongwei Fu (Military Economy Academy, China)
The study of stress-strain reconstruction method based on EMD
Dali Han (Beihang University, China)
Numerical simulation of 3-D electromagnetic field in a bloom continuous
casting mold with electromagnetic stirring
Aiguo Dang, Juan Cui (Xingtai iron & steel Corp., LTD, China)
Discussion on the methods to calculate austenite static recrystallized faction

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Baochun Zhao (Iron and Steel Research Institute of Angang Group, China)
Nonlinear dynamic analysis and fatigue life prediction of ice-wind loads on
transmission line
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Ru Bai, 2Gang Cai, 1Wenqi Chen, 1Yu Jiang (1Institute of Materials Science and
Engineering, 2State Grid Sichuan Electric Power Research Institute, China)
Digital material analysis methods based on computer vision
Lixun Li (Ansteel Group Corporation, China)
Analyzing standing waves on periodic waveguides by pseudospectral modal
method
Dawei Song (Nanjing University of Aeronautics and Astronautics, China)
Numerical simulation for initial solidification behavior of liquid steel in the
corner of billet mold
Changgui Cheng (Wuhan University of Science and Technology, China)
Multiscale simulation of nanoindentation response of aluminum with
different crystal orientations and indentation methods
Te-Hua Fang (KUAS, Taiwan, China)
Mechanical characterization and acoustic properties of the metallic foam
with open cell of Tin-Lead binary alloy
Abd-Elmounem Belhadj, Salam Abudura, Amel Hind Hassein-Bey, Mohammed
Azzaz (Faculty of Mechanical Engineering, Algeria)
Angle and the accuracy of springback steel bar bending hoop stirrup
Zhiliang Liu (Yanshan University, China)
Numerical simulation of reverse transformation and partition of 5Mn TRIP
steels
Haiwen Luo (University of Science and Technology Beijing, China)
Formation mechanism of channel segregation in carbon steels by inclusion
flotation: 3D microtomography characterization and multi-phase flow
modeling
Yanfei Cao, Yun Chen, Dianzhong Li (IMR, CAS, China)
Effect of solutal natural convection on dendritic tip stability investigated by
a quantitative phase-field model
Xinbo Qi, Yun Chen, Dianzhong Li (IMR, CAS, China)
Morphological evolution simulation of different grain structures during the
weld pool solidification
Rihong Han, Shanping Lu, Wenchao Dong, Dianzhong Li, Yiyi Li (IMR, CAS,
China)