ACCMS-5 SCIENTIFIC
PROGRAM
Melia Hotel, September
9 – 11, 2009
17:00-18:00 Conference Registration
07:00-08:00 Conference Registration
Conference Opening
08:00 W.1
Welcome address by Chairman of ACCMS-5 Conference
80:05 W.2 Welcome address by Chairman of
Scientific Council on Materials Science
08:10 W.3 Welcome address by Chairman of IAB
-ACCMS
08:15 W.4 Opening address by Minister of Science
and Technology
Session 1 Advanced Computational Methodology: beyond DFT
Chair : Karu Ohno (
08:25-9:00 K1 - 1 Challenges and Progress in Atomistic Simulations
Michele Parrinello
Computational Science, Department of Chemistry
and Applied Biosciences, ETH
09:00-09:25 I1 - 1 Strongly Correlated Electrons: Wavefuntion Based Methods
P. Fulde
Asia Pacific Centre for Theoretical
09:25-09:50 I1 - 2 Efficient and Accurate Calculation of Exact Exchange and RPA Correlation Energies in ACFD Theory
Huy-Viet Nguyen, Stefano de Gironcoli, Giulia Galli
Hanoi University of Education and Department of Chemistry, University of California, One Shields Avenue, Davis, CA, 95616 (USA)
09:50-10:05 O1 - 1 Spin-Polarized all-Electron GW+T-Matrix Calculation for Single and Double Quasiparticle Energies of Al Clusters
Y. Noguchi, K. Ohno,
Institute for
BREAK
Session 2 Modelling of Nanotubes, Nanowires and Quantum Dots
Chair: H.T. Diep (
10:30-10:55 I2 - 1 Modifaction of Electronic Struictures of Carbon Nanotubes with Applied Electric Fields or Adsorbed Molecules
Gunn Kim, Mun-Hyun Cha, J. Bernholc, Jisoon Ihm
FPRD and Department of Physics and Astronomy,
10:55-11:20 I2 - 2 Electronic Properties of Graphene under One-Dimensional Potentials
V. Lien Nguyen,
H. Chau Nguyen, C. Huy Pham,
and T. Nguyen Dung
11:20-11:45 I2 - 3 Monatomic Chain Formation and Breaking Process of Zno Nanowires: Molecular Dynamics Simulations
Ya-Pu Zhao, Bin-Bin Wang
State Key Laboratory of Nonlinear Mechanics,
11:45-12:10 I2 - 4 First Principle Study on Wurzite Nano Wire
Vu Ngoc Tuoc
Hanoi University of Technology, Vietnam 01 Dai Co
Viet road, Hanoi 10000,
12:10-12:35 I2 - 5 A Hierarchical Approach to Study Thermal Behavior of Nano-sized Materials
Jer-Lai Kuo
Institute of Atomic and Molecular Sciences,
Academia,
12:35-12:50 O2 - 1 Investigation of Chemical Selectivity and
Dimer Ordering in One-dimensional Atomic Wires Grown by Co-deposition of In and
Sn on Si(100)-2x1 Surface: A Kinetic
D.B. Putungan, H.J. Ramos, M.A. Albao
Physics Division, Institute of Mathematical Sciences and Physics, University of the Philippines Los Baños, College, Los Baños, Laguna 4031, Philippines
12:50-13:05 O2 - 2 Some Theoretical Results on Semiconductor Spherical Quantum Dots
B. Billaud, M. Picco, T.T. Truong
Université de CERGY-PONTOISE, Laboratoire de Physique Théorique et Modélisation, 2 rue Adolphe Chauvin, F-95302 Cergy-Pontoise, FRANCE
LUNCH
Session 3 Modelling of Nano-biological and Polymeric Systems
Chair: G. Kim (
14:15-14:40 I3 - 1 Resonance Scattering of Phonons-Glass-like Thermal Conductivity in Crystalline Solids
John S. Tse, Niall J. English
Department of Physics,
14:40-15:05 I3 - 2 DFTB - Theory, Parametrization, Recent Applications
B. Aradi, N. H. Moreira, G. Dolgonos, Th. Frauenheim
15:05-15:20 O3 - 1 First Principles Studies of the Adsorption of Uracil on SWCNTs
M. Rajarajeswari, K. Iyakutti and
Y. Kawazoe
15:20-15:35 O3 - 2 Monte Carlo Simulation of Coarse-grained Model of Large Polymer Mixtures with Different Chain Topology
Visit Vao-soongnern
School of Chemistry Institute of
15:35-15:50 O3 - 3 Adsorption of Polycyclic Aromatic Hydrocarbons on Graphite Surfaces
T. Tran-Duc, N. Thamwattana, Barry J. Cox, J. M. Hill
Nanomechanics Group,
BREAK
Session 4 Multi-scale Modeling of Materials
Chair: S.D. Kenny (
16:15-16:40 I4 - 1 Accelerated Molecular Dynamics Methods
Arthur F. Voter
Theoretical Division, T-1, MS B268 Los Alamos
National Laboratory
16:40-17:05 I4 - 2 First-Principles Calculation of Microstructural Process in Alloys
T. Mohri
Division of Matrials Scinece and Engineering,
17:05-17:30 I4 - 3 Quantum Simulation of Materials at Micron Scales and Beyond
Qing Peng, Xu Zhang, Linda Hung, Emily A. Carter and
Gang Lu
Department of Physics,
17:30-17:55 I4 - 4 Analytic Bond-Order Potentials Including Magnetism
Ralf Drautz and
David Pettifor
ICAMS, Ruhr-University
17:55-18:10 O4 - 1 A Renormalization Approach to ac Conductivity in Quasicrystals
V. Sanchez, C. Wang
Departamento de Fisica, Facultad de Ciencias,
Universidad Nacional Autonoma de Mexico, Apartado Postal 70-542, 04510, D.F.,
BREAK
Session 5 Oxydes and Nitrides Materials
Chair: S. Limpijumnong (Suranaree
18:15-18:40 I5 - 1 High-k Oxides and Interfaces: Materials Design from First-principles
M. Yang, Y. F. Dong, G. G. Xu, Y. P. Feng, S. H. Wang, Z. G. Huang, A. C. H. Huan
18:40-18:55 I5 - 2 Structure Property Correlation forMetal Oxide Structures Designed for Nano-Catalysis with Order N Plane Wave Calculation
Abhijit Chatterjee
Accelrys 3-3-1 Nishishinbashi
18:55-19:10 O5 - 1 Investigation on Spin-Flipping near Surface Layers of Perovskite CaMnO3
Nguyen Thuy Trang, Nguyen Tien Cuong, Nguyen Hoang Linh, and Bach Thanh Cong
Faculty of physics,
19:10-19:25 O5 - 2 Carbon and Silicon Impurities in GaAs1-xNx
Pakpoom Reunchan, Sukit Limpijumnong, Anderson Janotti, and Chris G. Van de
Walle
School of Physics Institute of Science, Suranaree
BREAK
POSTER SESSION SPONSORED BY ACCELRYS INC.
Chair: Y.P. Feng (
ACCELRYS PRESENTATION
19:30-20:00 Modeling
and Simulation to
Abhijit Chatterjee
Accelrys 3-3-1 Nishishinbashi
20:00 -
Session 6 Modeling Materials for Future Energy (I)
Chair: E.G. Wang (
08:00-08:35 K6 - 1 Transport Properties and Bonding Characteristics of Nanostructured Materials
Jisoon Ihm
Department of physics and astronomy,
08:35-09:00 I6 - 1 Pt Nanoclusters on Carbon Nanotube Support
Dam Hieu Chi
09:00-09:25 I6 - 2 Phase Behavior Predictions of Various Methane and Hydrogen Clathrate Hydrates
Vladimir R.
Belosludov
Nikolaev Institute of Inorganic Chemistry of SB
RAS, 3 Lavrentiev av.,
09:25-09:50 I6 - 3 Ab Initio Study of Graphene Nanostructures: Metal Binding and Hydrogen Adsorption
G.-B. Kim, S.-M. Choi, N. Park, S.-H. Jhi
Department of
09:50-10:25 I6 - 4 Hydrogen-Related Defects and the Role of Metal Additives in the Kinetics of Complex Hydrides
Khang Hoang and
Chris G. Van de Walle
Materials Department,
10:25-10:40 O6 - 1 Single Walled Carbon Nanotubes Coated With Hydrides As Hydrogen Storage Medium
K. Iyakutti, V. J. Surya and
Y. Kawazoe
BREAK CONFERENCE PHOTO
Session 7 Modeling of Mechanical Properties of Materials
Chair: Gang Lu (
11:00-11:25 I7 - 1 Stress Dependence of the Peierls Barrier in BCC Metals
V. Vitek and
R. Gröger
Department of Materials Science and Engineering,
11:25-11:50 I7 - 2 Bending Analysis of Three-Phase Polymer Composite Plates Reinforced by Glass Fibers and Titanium Oxide Particles
Nguyen Dinh Duc, Dinh Khac Minh
11:50-12:15 I7 - 3 A Hybrid Atomistic Simulation for Investigating Spatial Distribution of Alloying Elements and Their Effects on Metallic Materials Properties
Eun Cheol Do, Eun-Ha Kim and
Byeong-Joo Lee
Department of Materials Science and Engineering,
12:15-12:30 O7 - 1 A Molecular Dynamics Study of the Effect of CNT-Al Bond Strength on the Mechanical Properties of CNT-reinforced Al Composite
Byung-Hyun Kim, Kwang-Ryeol Lee, Sang Hak Kim, Do Seok Han, Yong-Chae Chung
KIST, 39-1 Hawolgok-dong, Seongbuk-gu,
LUNCH IAB-ACCMS MEETING
Session 8 Materials under Extreme Conditions
Chair: R. Drautz (
13:30-13:55 I8 - 1 Effect of Impurities on Vacancy Behaviour in Fe-based Alloys from First Principles
SRMP, CEA-Saclay, 91191 Gif sur Yvette,
13:55-14:20 I8 - 2 Monte Carlo Models for FeCr Alloys: Prototype Materials for Fusion Applications
M. Yu. Lavrentiev, D. Nguyen-Manh, S. L. Dudarev
Culham Science Centre,
14:20-14:45 I8 - 3 On the Electronic Structure of Some Strongly Correlated Electron Systems
Vinh Hung Tran
14:45-15:00 O8 - 1 First Principles Modeling of Stability Mechanism of Nonstoichiometric Uranium Dioxide
Ying Chen, Hua Y. Geng, Yasunori Kaneta, Motoyasu Kinoshita and
Shuichi Iwata
BREAK
Session 9 Spintronics and Magnetic Properties of Materials
Chair: Bach Thanh Cong (
15:10-15:35 I9 - 1 First Principles Design of DMS and DMO by Transition Metal Codoping
G. P. Das
Indian Association for the Cultivation of Science
Department of Materials Science IACS, Jadavpur, Kolkata 700032
15:35-16:00 I9 - 2 Monte Carlo Study of the Spin Transport in Magnetic Materials
H. T Diep, K. Akabli,
Laboratoire de Physique Théorique et Modélisation
Université de Cergy-Pontoise, CNRS, UMR8089 2, Avenue A. Chauvin, 95302
Cergy-Pontoise,
16:00-16:25 I9 - 3 Magnetization Reversal in the Quantum Limit
Frank Marsiglio, Fatih Dogan, Lucian Covaci, and Wonkee Kim
Department of Physics
16:25-16:50 I9 - 4 Fascinating World of Double Perovskites
Tanusri
Saha-Dasgupta
S.N.Bose National Centre for Basic Sciences,
Block JD, Sector III,
16:50-17:05 O9 - 1 Spin Orbit Contributions to the Magnetism of Small Iron Clusters
B. Hourahine, C. Köhler, Th. Frauenheim
Department of Physics,
17:05-17:20 O9 - 2 New Type of Half-metallic Antiferromagnets and their Applications to GMR and TMR Devices
Nguyen Hoang Long, Masako Ogura and
Hisazumi Akai
Deparment of Physics,
17:20-17:35 O9 - 3
Huan Tran and
Nick Bonesteel
Department of Physics and NHMFL, Florida State University, 1800 E. P. Dirac, Tallahassee, FL 32310, USA
BREAK
Section 10 Modeling of Nano-Devices
Chair: S.H. Jhi (
17:45-18:10 I10 - 1 Energy Materials Design: Band Gap Manipulation by First Principles
S.Y. Chen, W.J Yin, X. G. Gong, S.H. Wei
Department of Physics, Fudan University, Handan Rd 220#, Shanghai 200433, China
18:10-18:35 I10 - 2 How can a Homogeneous Semiconductor Exhibit Gigantic Dielectric Response?
Ping Wu, Valeri Ligatchev, Zhi Gen Yu, Jianwei Zheng, Michael B. Sullivan and
Yingzhi Zeng
18:35-19:00 I10 - 3 First-principles Design of Nanomachines
J. R. Banavar, M. Cieplak, T. X. Hoang, A. Maritan
19:00-19:15 O10 - 1 Multi-Paradigm Simulations at the Nanoscale: Methodology and Applications to Functional Carbon Materials
Haibin Su
Divison of Materials Science Nanyang
Technological
19.45 ACCMS-5 BANQUET
ACCMS-5 AWARD PRESENTATION
KAWAZOE POSTER AWARD PRESENTATION
Chair: Vijay Kumar (Vijay
08:00-08:35 K11 - 1 Paradigm Shift of Materials Design by Computer Simulation- from Explanation to Prediction
Y. Kawazoe
Institute for Materials Research,
08:35-09:00 I11 - 1 Structure and Properties of Some Doped Metal Clusters: A Quantum Chemical Approach
Minh Tho Nguyen
Department of Chemistry, and Institute for
Nanoscale Physics and Chemistry (INPAC),
09:00-09:25 I11 - 2 Charge Separation Dynamics at Molecular Heterojunction of C60 and Zn- Phthalocyanine
Kaoru Ohno and
Yasunobu Kodama
Department of Physics,Yokohama National
University,79-5 Tokiwadai, Hodogaya,
09:25-09:40 O11 - 1 Evaluating Seebeck Coefficient of NaxCoO2 from Molecular Orbital Calculations
T. Seetawan, C. Thanachayanont and
V. Amornkitbamrung
BREAK
Session 12 Surface, Interface and Thin Films
Chair: Wu Ping (Institute for High Performance Computing,
10:00-10:25 I12 - 1 Surface Energy and Surface Proton Order of Ice Ih Basal and Prism Surfaces
Enge Wang
10:25-10:50 I12 - 2 Atomistic Modelling of the Growth of Rutile
L.J. Vernon, E. Sanville, S.D. Kenny and
R. Smith
Department of Mathematical Sciences,
10:50-11:15 I12 - 3 Ab Initio Modeling of Laser Materials: Segregation of Nd and Gd on YAG Surfaces
Vijay Kumar
Dr. Vijay Kumar Foundation, 1969 Sector 4, Gurgaon 122001,
11:15-11:40 I12 - 4 Influence of Cr and Fe Additions on Grain Boundary Cohesion of Bcc Fe and Cr
A. Kiejna, T. Ossowski, E. Wachowicz
11:40-11:55 O12 - 1 First-principles Study of Rectifying Properties of Pt/TiO2 Interface
Tomoyuki Tamura, Shoji Ishibashi, Kiyoyuki Terakura, and Hongming Weng
Research Institute for Computational Sciences
(RICS), National Institute of Advanced Industrial Science and Technology
(AIST), 1-1-1 Umezono, Tsukuba,
11:55-12:10 O12 - 2 Hydrogen Bonded Bimolecular Monolayers on Au(111): A DFT Study
M. T. Nguyen, D. Passerone, C. Pignedoli
Nanotech@surfaces Empa - Swiss Federal
Laboratories for Materials Testing and Research Ueberlandstrasse 129 CH-8600
Duebendorf
12:10-12:25 O12 - 3 Molecular Dynamics Simulations Study on the Structure Evolution of Polyethylene Surface by Ar Ion Bombardment
Chansoo Kim1, Sk. Faruque Ahmed, Mina Park1,
Minwoong Joe, Myoung-Woon Moon, Kwang-Ryeol Lee
Computational Science Center, Korea Institute of Science and Technology (KIST), P. O. Box 131, Cheongryang, Seoul, 130-650, Korea
12:25-12:40 O12 - 4 A First Principles Calculation on the Polythiophene/Carbon Nanotube Hybrid Nanocomposite
Hsin-An Chen, I-Sheng Chen and
Chun-Wei Chen
No. 1, Sec. 4,
LUNCH
Session 13 Modeling of Materials for Future Energy (II)
Chair: X.G. Gong (
13:45-14:10 I13 - 1 First-principles Determination of Free Energies of Ferroelectric Phase Transitions
Umesh V Waghmare, Anil Kumar
Jawaharlal Nehru Centre for Advanced Sceientific Research Main Campus, Jakkur Post, Jakkur, Bangalore-560 064
14:10-14:35 I13 - 2 Origin of Anisotropy, Metallic Behavior and Thermoelectric Effect in Delafossite PdCoO2, PtCoO2
Khuong P. Ong, Jia Zhang,
and Ping Wu
Institute of High Performance Computing,
Computational Materials Science and Engineering ,
14:35-14:50 O13 - 1 GPU-accelerated Massive Parallel Quantum Molecular Dynamics Simulation
Toshiaki Iitaka
Advanced Science Institute, RIKEN, 2-1 Hirosawa,
Wako, 351-198,
14:50-15:05 O13 - 2 Modeling of Pillared Layer Structures as the Hydrogen Storage Material
Daejin Kim, Dong Hyun Jung, Kyung-Hyun Kim, Areum Lee, Seung-Hoon Choi, Jaheon Kim, and Kihang Choi
Insilicotech Co. Ltd., A-1101 Kolontripolis, 210,
Geumgok-Dong, Bundang-Gu, Seongnam-Shi, 463-943,
15:05-15:20 O13 - 3 Thermal Diffusivity of Al0.3Ga0.7As by Molecular Dynamics Simulation and Thermograph Method
S.Chitra
Sri Para sakhi college for women, courtallam-627
802, Tamil
BREAK
Session 14 Micro-structure Modelling and Phase Transformation
Chair: Tetsuo Mori (
15:30-15:55 I14 - 1 Liquid Structure as A Guide for Phase
Stability in the
Marcel H.F.
Sluiter, Emre S. Tasci
Department of Materials Science &
Engineering,
15:55-16:20 I14 - 2 Ab Initio Molecular Dynamics Simulations to Designing Static and Dynamic Properties in Undercooled and Amorphous Materials
A. Pasturel, N. Jakse
SIMAP (G-INP and CNRS) batiment Recherche Phelma
1130 rue de la piscine BP 75, Saint Martin d'Heres 38402
16:20-16:45 I14 - 3 Application of Ab Initio Results in Modelling Phase Diagrams Containing Complex Phases
M. Sob, J. Pavlu, J. Vrestal, A. Kroupa
Faculty of
16:45-17:10 I14 - 4 The 'Native Vacancy' and Diffusion Mechanism in Amorphous Alloys
P.K.Hung, L.T.Vinh, P.H.Kien
17:10-17:25 O14 - 1 Structural and Dynamic Properties in Undercooled and Amorphous Materials: A Molecular Dynamics Study Cu-Zr Glass Forming Alloys
N. Jakse, A. Nassour and
A. Pasturel
Science et Ingénierie des Matériaux et Procédés,INP Grenoble, UJF-CNRS, 1130, rue de la Piscine, BP 75, 38402 Saint-Martin d’Hères Cedex, France
BREAK
Session 15 Optical and Spectroscopy Properties of Materials
Chair: Umesh V. Waghmare (JNCSR,
17:40-18:05 I15 - 1 Using Transformation Optics to Design Materials with Novel Optical Properties
C.T. Chan
PhysicsDepartment,
18:05-18:30 I15 - 2 Local Structure Analysis by X-ray Absorption Spectroscopy and First Principles Calculations
Sukit Limpijumnong
School of Physics, Suranaree University of Technology and Synchrotron Light Research Institute, Nakhon Ratchasima 30000, Thailand
18:30-18:55 I15 - 3 Beyond LDA in Electronic-Transport Simulations of Single-Molecule Junctions
Hyoung Joon Choi
Department of Physics,
18:55-19:20 I15 - 4 Study of
EXAFS Cumulants of
Vu Van Hung, Ho Khac Hieu and
K.Masuda-Jindo
Hanoi National University of Education, 136 Xuan
Thuy street, Cau Giay, Hanoi,
19:20-19:35 O15 - 1 Studies of Electronics and Optical Properties of CaCu3Ti4O12 Using First Principles Calculations
W. Chaiyarat, A. Yangthaisong
Department of
19:35-19:50 O15-2 Kinetic
Y. H. Lau, R. Hariharaputran,
D. T. Wu
POSTER SESSION SPONSORED BY ACCELRYS INC.
Chair: Y.P. Feng (
20:00 - September 9, 2009, Wednesday
P - 1 Electronic Structure Property Correlation of Silicon (111) Surface Functionalized with Alkane Molecules
Abhijit Chatterjee
Accelrys 3-3-1 Nishishinbashi
P - 2 The investigation of the Effects of Ga-doping on the Electronic Structure and the Optical Properties of ZnO under the Density Functional Theory
Dinh Son Thach, Tran Nguyen Quynh Nhu
University of Science, VNU-HCM, 227 Nguyen Van Cu str., 5 dist., Hochiminh City, Vietnam
P - 3 Vibration Control of Piezoelectric Cantilever Plates and Comparision with Experiments
Tran Ich Thinh, Le Kim Ngoc
P - 4 Simulation of Thermal Dissipation in a Micro-Processor Using Carbon Nanotubes Based Composite
Bui Hung Thang, Phan Ngoc Hong, Phan Hong Khoi and
Phan Ngoc Minh
Institute of Materials Science, 18 Hoang Quoc Viet Str., Caugiay Dist., Hanoi, Vietnam
P - 5 Interpretation of Hund's First and Second Rules for 3d Atoms
Takayuki Oyamada, Kenta Hongo, Yoshiyuki Kawazoe, and Hiroshi Yasuhara
Kawazoe Laboratory Institute for
P - 6 First Principles Calculations of SrHfO3
A. Yangthaisong and
S. J. Clark
Department of
P - 7 Development of the All-electron Mixed Basis Hartree-Fock Calculation Code
Yoichi Tadokoro, Kaoru Ohno, Soh Ishii, and Yoshifumi Noguchi
79-5-W708 Tokiwadai Hodogaya-ku
P - 8 Computer Simulation of the Non-Uniform and Anisotropic Diamagnetic Shift of Electronic Energy Levels in Double Quantum Dot Molecules
L. M. Thu and
O. Voskoboynikov
Department of Electronics Engineering, National Chiao Tung University, 1001 Ta Hsueh Rd., Hsinchu, 30010, Taiwan.
P - 9 Ab-initio Study of the Effect of Size and Shape on the Electronic Properties and Electron Affinity of Hydrogen Terminated Carbon Nanoparticles (Diamondoids)
N. H. Tuyen, N. M. Tuan, N. T. Loc
Hochiminh City Institute of Physics - 01 Mac Dinh
Chi, District 1,
P - 10 Highly Photoluminescent Semiconductor Quantum Dots Synthesized in Non-Coordinating Solvent
Nguyen Hong Quang, Luu Tien Hung
Department of Physics,
P - 11 Ab Initio Study of n-type Doping in Anatase TiO2
Huynh Anh Huynh, Bálint. Aradi, Peter Deák, and Thomas Frauenheim.
P - 12 A Theoretical Approach of Microscopic Solvation of LiCl in Water Cluster: LiCl(H2O)n(n=1-9)
Manik Kumer Ghosh and
Cheol Ho Choi
SINTEF Materials and Chemistry, Department of Hydrocarbon Process Chemistry, P. O. Box 124 Blindern, 0314 Oslo, Norway
P - 13 Theoretical Prediction of Doubly Charged Hydronium Ions
Manik Kumer Ghosh and
Cheol Ho Choi
SINTEF Materials and Chemistry, Department of Hydrocarbon Process Chemistry, P. O. Box 124 Blindern, 0314 Oslo, Norway
P - 14 Pair Potential Application for Molecular Dynamics Studies of GaAs Nanoparticles in the Amorphous Phase
Ngo Huynh Buu
Trong, Vo Van Hoang
Department of Applied Physics, Faculty of Apply Sciences, Institute of Technology of HCM City, VNU of HCM, 268 Ly Thuong Kiet District 10 Ho Chi Minh City Viet Nam
P - 15 Cooling Rate Effects in Liquid and Amorphous Aluminosilicate Nanoparticles: A Molecular Dynamics Computer Simulation
Nguyen Ngoc Linh, Ngo Huynh Buu Trong, Tran Thi Thu Hanh, Vo Van Hoang
Dept. of Physics, Institute of Technology, National University of HochiMinh City, 268 Ly Thuong Kiet Street, District 10, HochiMinh City-Vietnam.
P - 16 Effect of Edge Doping on Electronic and Magnetic Properties of Graphene Nanoribbons
Narjes Gorjizadeh, Amir A. Farajian, Keivan Esfarjani, and Yoshiyuki Kawazoe
Tohoku University IMR, 2-1-1 Katahira, Aoba-ku,
P - 17 Magneton-Phonon Resonance and Line-width in Rectangular Quantum Wire
Le Dinh, Tran Cong Phong
Hue University-College of Education, 34 Le Loi
P - 18 Study of Half Metallacity of CrO2 by Using the LSDA and LDA+U Methods
R. K. Thapa, M. P. Ghimire, Lalmuanpuia and
Sandeep
Physics Department,
P - 19 The Characterization of the Carbon Nanotube-Copper Composites from the First-principle Calculations
M. Park, K.R. Lee, S.H. Kim, and D.S. Han
P - 20 Controllable Synthesis of Base- and Tip-type of Multiwalled Carbon Nanotubes by a dc Plasma-Enhanced Chemical Vapor Deposition (PECVD) Technique
Nguyen Hong Quang, Do-Hyung Kim
Department of Physics,
P - 21 Calculation of the Field Emission Current from Carbon Nanotubes Using the Bardeen Transfer Hamiltonian Method
Nguyen Ngoc Hieu, Nguyen Van Hanh, Tran Cong Phong
Le Quy Don Gifted School 106 Hung Vuong Str., Dong Ha, Quang Tri
P - 22 Totally Symmetric Vibrations of Armchair Carbon Nanotubes
N.A. Poklonski1, E.F. Kislyakov, Nguyen Ngoc Hieu, S.A. Vyrko1, O.N. Bubel’, Nguyen Ai Viet
Institute of Physics and Electronics,
P - 23 An Efficient Tool for Modeling and Prediction of Fluid Flow in Nanochannels
Samad Ahadian, Yoshiyuki Kawazoe
Laboratory of Materials Design by Computer Simulation, Institute for Materials Research (IMR), Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, Japan P. O. Box: 980-8577
P - 24 Calculation of the Nonlinear Absorption Coefficient of a Strong Electromagnetic Wave by Confined Electrons in Quantum Wires
Le Thi Thu Phuong, Huynh Vinh Phuc, Tran Cong Phong
Hue University, College of Education 32-34 Le
loi, Hue,
P - 25 Waters Mediate Interaction between Proteins: An Observation by data Mining Method
Ayumu Sugiyama, Taku Mizukami, Dam Hieu Chi, Ho Tu Bao
Japan Advanced Institute of Science and
Technology, 1-1 asahidai nomi ishikawa
P
- 26 Determine
Thi Cuc Do, Hye-Jin Jeon, Hyun Hoon Song, Kohji Tashiro, Young Ho Kim
Department of Advanced Materials,
P - 27 Computation of Chemical Equilibrium in Multi-component Zzirconium Alloys for Biomaterials Applications
Pei-Lin Mao and
Ping Wu
School of Chemical and Life Sciences, Nanyang Polytechnic, 180 Ang Mo Kio Ave 8, Singapore 569830
P - 28 Samdwich Microstructure of Tumblebug Cuticle
B. Chen, Q. Yuan, J Luo, X. Peng
Chen Bin Group,
P - 29 Spiry Microstructure of Aragonite Sheets of Chamidae Shell
B. Chen, Q. Yuan, J Luo, X. Peng
Chen Bin Group,
P - 30 Anisotropic Diffusion in Disordered Fractals
Do Hoang Ngoc Anh, Steffen Seeger and
Karl Heinz Hoffmann
Dept. of Computational PhysicsTechnische
Universit"at Chemnitz 09126
P - 31 Study of Thermodynamic Properties of Cerium Dioxide under High Pressures
Vu Van Hung, Le Thi Mai Thanh and
K.Masuda-Jindo
P - 32 Electrophonon Resonance in Square Quantum Wells of n-GaAs Materials
Tran Cong Phong, Vo Thanh Lam, Luong Van Tung
Hue University, College of Education 32-34 Le
loi, Hue,
P - 33 The Electronic Properties of MgO under High Pressure from Ab Initio Calculations
G. Zheng, L. Yu, K.H. He, Z.L. Zeng, Q.L. Chen
P - 34 Complex Characterization of the Nanostructured Materials by Using the Scanning Probe Microscopy Methods
A.V.Luikov Heat and Mass Transfer Institute of National Academy of Sciences of Belarus, P Brovki Str. 15, Minsk, Belarus
P
- 35 Another SP3 Bonded Carbon
K. Iyakutti, M. Rajarajeswari and
Y. Kawazoe
P - 36 Mesoscale Simulation on Phase Behaviour of Triblock Copolymers with Different Chain Architecture in Aqueous Solution
Mantana Chansuna, Nuttaporn Pimpha, Visit Vao-soongnern
School of Chemistry Inst. of
P - 37 Challenges in Modelling TCP Phase Formation in Ni-based Superalloys
Bernhard Seiser, Thomas Hammerschmidt, Aleksey Kolmogorov, Ralf Drautz and
David Pettifor
Department of Materials,
P - 38 Fabrication and Calculation of the Friction Coefficient of Cu Matrix Nanocomposites Material is Reinforced by Carbon Nanotubes (CNTs)
Pham Van Trinh. Tran Bao Trung, Nguyen Ba Thang. Nguyen Van Tu. Duong Ngoc Vinh.
Doan Dinh Phuong. Phan Ngoc Minh
Institute of Material Science, Vietnamese Academy of Science and Technology, 18 Hoang Quoc Viet Street, Cau Giay District, Hanoi, Vietnam
P - 39 Scanning Probe Microscopy Methods in the Complex Characterization Nanostructured Material and Surface
A.V.Luikov Heat and Mass Transfer Institute of National Academy of Sciences of Belarus, P Brovki Str. 15, Minsk, Belarus
P - 40 Effect of Stereochemical Composition on Dynamic Properties of Polypropylene Melts: A Multiscale Molecular Simulation
Tanissara
Pinijmontree and
Visit Vao-soongnern
School of Chemistry, Institute of Science, Suranaree University of Technology, Nakhon Ratchasima, 30000, Thailand
P - 41 Finite Element Analysis of Magnetic-Mechanical Structures for AFM
Dung C.T.P, Tan T.D, Long N.T, Thuy N.P
E3 building, 144 Xuan Thuy, Cau Giay, Ha Noi, Viet Nam
P - 42 Multiscale Modelling of Nanoindentation
E.
Department of Mathematical Sciences, Loughborough University, Loughborough. Leicestershire, LE11 2DH, UK
P - 43 Spherical Indentation On Ceramic Coatings
Le Thuong Hien, Tran Ich Thinh, Bui Van Binh, Nguyen Van Duong
235- Hoangquocviet str., Hanoi, Vietnam Electric Power University
P - 44 A new Stiffened Element Using to Analyse the Mechanical Behaviour of Stiffened Laminated Plates under Free Vibration
Tran Ich Thinh, Ngo Nhu Khoa, Do Tien Dung
Thai Nguyen University - VietNam
P - 45 Nonlinear Analysis of Stability for Functionally Graded Cylindrical Shells under Mechanical Loads
Nguyen Dinh Duc, Hoang Van Tung
Vietnam National University, Hanoi
P - 46 Numerical Simulation of Heat Stresses and Durability of the Combustor Wall
Nguyen Phu Khanh, Nguyen Viet Hung, Hoang Thanh Tung
Center for Development & Application Of Software for Industry (DASI Center)
P - 47 Study on Mechanical and Thermodynamic Property of Some Cryocrystals
Nguyen Quang Hoc and
Dinh Quang Vinh
Faculty of Physics,
P - 48 Effect of Current Crowding on Electromigration Lifetime Investiganted by Simulation and Experiment
Nguyen Van Hieu
International Training Institute for Materials Science, Hanoi University of Technology, No.1 Dai Co Viet, Hanoi, Vietnam.
P - 49 Numerical Simulation of the CUA DAT Dam
Nguyen Viet Hung, Bui Tran Trung, Nguyen Phu Khanh, Nguyen Hoai Nam
Center for Development and Application of Software for Industry (DASI Center), Hanoi University of Technology 6 floor, Ta Quang Buu Library, Hanoi University of Technology campus 1, Dai Co Viet, Hai Ba Trung, Hanoi
P - 50 An Application of the Meshfree Radial Point Interpolation Method in Solving the Two-Dimensional Node-To-Node Contact Problems
N.M. Nguyen, B. D. Nguyen, T.T. Truong
Ho Chi Minh City University of Technology, 268 Ly Thuong Kiet street, District 10, Ho Chi Minh City, Vietnam
P - 51 Finite Element Modeling and Experimental Study on Bending and Vibration of Laminated Stiffened Glass Fiber/polyester Composite Plates
Tran Ich Thinh, Tran Huu Quoc
A5 Gam Cau street, Hoan Kiem dist, Hanoi, Vietnam
P - 52 Finite Element Modeling for Bending and Vibration Analysis of Laminated and Sandwich Composite Plates Based on Higher-order Theory
Tran Minh Tu, Le Ngoc Thach, Tran Huu Quoc
University of Civil Engineering, 5 - Giai phong Road - Ha noi - Vietnam
P - 53 Evolution of Void and Constitutive Descriptions of Casting Magnesium Alloy
B. Chen, Q. Yuan, J Luo, X. Peng
Chen Bin Group, College of Resource and Environment Science, Chongqing University, Chongqing 400044, China
P - 54 Atomic Structures and the Magnetism of fcc Fe/Cu(111) Films: First-principles Calculations
Heechae Choi and
Yong-Chae Chung
Department of Materials Science and Engineering, Hanyang university, Seoul 133-791,Korea
P - 55 Modelling Gadolinium Doped Gallium Nitride
B. Hourahine, S. Sanna, T. Frauenheim
Department of Physics, SUPA University of Strathclyde John Anderson Building 107 Rottenrow Glasgow G4 0NG
P - 56 Tailoring Intramolecular Exchange Coupling of Mn4 Single-Molecule Magnets: A Wway to Develop Single-Molecule Magnets
N. A. Tuan, N. H. Sinh, D. H. Chi
Hanoi University of Science, 334 Nguyen Trai, Thanh Xuan, Hanoi, Vietnam
P - 57 NMR in Nanoscale One-dimensional Spin Chain
Hoang Nam Nhat, Pham The Tan and
Nguyen Duc Tho
Vietnam National University, 334 Nguyen Trai, Thanh Xuan, Hanoi, Vietnam
P - 58 Density Functional Study of Electronic Properties of Perovskite Systems La_1-xSr_xFeO_3
Nguyen Duy Huy, Nguyen Thuy Trang, Nguyen Hoang Linh, Nguyen Tien Cuong,Pham Huong Thao, and Bach Thanh Cong
Faculty of physics, Hanoi University of Science
P - 59 Influence of Doped Rare-Earth Elements on Electronic Properties of RxCa1-xMnO3 Systems
Nguyen Hoang Linh, Nguyen Thuy Trang, Nguyen Tien Cuong, Pham Huong Thao, and Bach Thanh Cong
Faculty of physics, Hanoi University of Science
P - 60 Ground State of Spin Chain System by Density Functional Theory
Nguyen Thuy Trang, Nguyen Duc Tho and
Hoang Nam Nhat
Vietnam National University, 334 Nguyen Trai, Thanh Xuan, Hanoi, Vietnam
P - 61 Structural Stability, Magnetism and Hyperfine Interactions of Hydrogen Monomer, Dimers, Trimers and Tetramers on Graphene
A. Ranjbar, M. S. Bahramy, M. Khazaei, H. Mizuseki, and Y. Kawazoe
Kawazoe Lab., Laboratory of Materials Design by Computer Simulation. Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577, Japan
P - 62 The Monte Carlo Simulation of Magnetic Nanoparticle Systems
Tran Nguyen Lan, Tran Hoang Hai
Ho Chi Minh City Institute of Physics, 01 Mac Dinh Chi str., dist. 01, Ho Chi Minh City, Vietnam.
P - 63 Atomistic Simulation of the Interlayer Structures and Dynamics of the Hydrated Potassium-Montmorillonite
Chinnawut
Pipatpanukul, Supagorn Rugmai and
Visit Vao-soongnern
School of Chemistry Inst. of science Suranaree University of Technology Nakhon Ratchasima 30000
P - 64 Investigation of the Solidification Process of Monatomic Lennard-Jones Systems.
Le Nguyen Tue
Minh and
Vo Van Hoang
Department of Physics, Institude of Technology of HochiMinh City, 268 Ly Thuong Kiet Street, District 10, HochiMinh City-Vietnam
P - 65 Structure and Dynamical Properties in Noblemetal Halide Mixture Include Two Kinds Cations, Ag+ and Cu+
Shigeki Matsunaga
Nagaoka National College of Technology, Nishikatakai 888, Nagaoka, 940-8532, Japan
P - 66 Modeling of the Phase Transformation sII – sH in Ar Hydrates at High Pressure
N. A. Nemov, O. S. Subbotin, V. R. Belosludov
Nikolaev Institute of Inorganic Chemistry, Siberian Branch of Russian Academy of Science, Lavrentiev av. 3, Novosibirsk, 630090
P - 67 Thermodynamic Prediction of Structural Transitions in Binary Methane-Ethane Hydrates at Low Temperatures
T.P. Adamova, O.S. Subbotin, A. A. Pomeransky, V.R. Belosludov
Nikolaev Institute of Inorganic Chemistry SB RAS, Lavcrentiev avenue, 3, Novosibirsk, 630090
P - 68 Influence of Methane Content on Clathrate Hydrate Structure Transformation sI – sII
O. S. Subbotin, V. R. Belosludov, R. V. Belosludov ,
H. Mizuseki and
Y. Kawazoe
Nikolaev Institute of Inorganic Chemistry SB RAS, Lavcrentiev avenue, 3, Novosibirsk, 630090
P - 69 Analysis of Protein Hydration Water by Means of Data Mining Method
Taku Mizukami, Ayumu Sugiyama, Dam Hieu Chi, Ho Tu Bao
Materials Science, Japan Advanced Institute of Science and Technology (JAIST), 1-1, Nomi-city, Ishikawa, Japan, 923-1211
P - 70 Molecular Dynamics Simulation of Structural and Thermodynamics Properties of Amorphous GeO2 Nanoparticles
Tran Phuoc Duy, Nguyen Ngoc Linh and
Vo Van Hoang
Department of Physics, Institute of Technology, HoChiMinh City National University 268 Ly Thuong Kiet Street, District 10, HoChiMinh City, Viet Nam
P - 71 Structure and Diffusion in Simulated Liquid GaAs
Tran Thi Thu Hanh and
Vo Van Hoang
Department of Applied physics, Institute of Technology National University of Hochiminh City, 268 Ly Thuong Kiet Str., Distr. 10, Hochiminh City, Vietnam
P - 72 Molecular Dynamic Simulation Study of Gold Structure in Amorphous and Liquid States
Truong Nguyen Duy
Ly, Ngo Huynh Buu Trong and
Vo Van Hoang
Department of Physics, Institute of Technology, HoChiMinh City National University, 268 Ly Thuong Kiet Street, District 10, HoChiMinh City, Viet Nam
P - 73 Models of Some Nano Device Based on Carbon Nanotubes and DNA
N. N. Hieu, N. A. Poklonski ,
N. V. Thanh and
N. A. Viet
Institute of Physics, 10 Daotan, Ngockhanh, Badinh, Hanoi, Vietnam.
P - 74 Binding Energy Estimation of Hydrogen Storage Materials by All-Electron Mixed-Basis Program TOMBO
Ryoji Sahara, Hiroshi Mizuseki, Kaoru Ohno, Marcel Sluiter, and Yoshiyuki Kawazoe
Institute for Materials Research, Tohoku Univ., university, Sendai 980-8577, Japan
P - 75 Simulation of Mechanical and Electrical Properties of Quartz Crystal Microbalance
Vu Ngoc Hung, Nguyen Van Dinh, and Trinh Quang Thong
International Training Institute for Materials Science (ITIMS)
P - 76 Theoretical Investigation of the Hydrogen Storage Ability of a Carbon Nanohorn
G. Chen, Q. Peng, H. Mizuseki, and Y. Kawazoe
Kawazoe-Lab, Institute for Materials Research, Tohoku University, Sendai 980-8577, Japan
P - 77 First Principles Calculations on Grain Boundary Impurities in Polycrystalline Silicon
Ambigapathy Suvitha, N. S. Venkataramanan, Ryoji Sahara, Hiroshi Mizuseki and Yoshiyuki Kawazoe
Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577, Japan
P -78 Atomistic Modelling of Artificially Controlled Grain Boundaries in Multicrystalline Silicon
Hiroshi Mizuseki, Ambigapathy Suvitha, Ryoji Sahara, and Yoshiyuki Kawazoe
Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, Miyagi, Japan, 980-8577
P - 79 Molecular Dynamic Simulation and Extended X-Ray Absorption Fine Structure (EXAFS) Spectroscopy Studies of Cation Local Structure of Tetraglyme/Potassium Thiocyanate Electrolytes
J.
Chaodamrongsakul, W. Klysubun, V. Vao-soongnern
School of Chemistry Institute of Science Suranaree University of Technology, 111 University Avenue, Muang District, Nakhon Ratchasima, 30000
P - 80 High-Capacity Hydrogen Storage of Al Adsorbed Graphene: Ab Initio Investigation
Hong-Lae Park, Byung-Hyun Kim and
Yong-Chae Chung
Department of Materials Science and Engineering, Hanyang University, 17 Hangdang-dong, Seongdong-gu, Seoul 133-791, Korea
P - 81 Complex Permeability Model for Efficient Proximity Losses Computation in Electric Conductors
PHUNG AnhTuan
C3-106, Electrical Devices Department, Electrical Engineering Faculty, Hanoi University of Technology, 1 Dai co Viet,Vietnam
P - 82 First-principles Calculations on Hydrogen Storage Properties of CS-4 clathrate Hydrate
Maaouia Souissi, R.V. Belossludov, H. Mizuseki and
Y. Kawazoe
Institute for Materials Research (IMR), Tohoku University, Katahira 2-1-1 Aoba-ku, Sendai 980-8577 Japan
P - 83 Density Functional Study on the Alkali Atom Doped Calix[4]arene as Hydrogen Storage Material
N.S.
Venkataramanan,R. Sahara,H. Mizuseki and
Y. Kawazoe
Institute for Materials Research(IMR) Tohoku University, 2-1-1, Katahira, Aoba-Ku, Sendai, Japan
P - 84 Atomistic Simulation of the Structure, Interaction and Dynamics of Poly(lactic acid) Melt and Graphite Interface
Visit
Vao-soongnern and
Adisak Takhulee and
Laboratory of Computational and Applied Polymer Science, School of Chemistry, Inst. of Science, Suranaree University of Technology, Nakhon Ratchasima, Thailand 30000
P - 85 Effect of Film Thickness on the Phase Transition in Thin Magnetic Films
V. Thanh Ngo, D.Tien Hoang, X. T. Pham-Phu and
H. T. Diep
Laboratoire de Physique Théorique et Modélisation Université de Cergy-Pontoise, CNRS, UMR8089 2, Avenue A. Chauvin, 95302 Cergy-Pontoise, France
P - 86 Fracture Toughness of an Interface between a Submicron-Thick Film and a Substrate
Do Van Truong, Vuong Van Thanh, Trinh Dong Tinh
Hanoi University of Techlonogy, Vietnam
P - 87 A First Principles Calculation on the Polythiophene/Graphene Hybrid Nanocomposite
I-Sheng Chen, Hsin-An Chen and
Chun-Wei Chen
National Taiwan University No. 1, Sec. 4, Roosevelt Road, Taipei, 10617 Taiwan
P - 88 Modelling Fullerenes on Si (100)
Paul C Frangou, David J King, Steven D Kenny and
Ed Sanville
Department of Mathematical Sciences, Loughborough University, Loughborough. Leicestershire, LE11 2DH, UK
P - 89 Molecular Dynamics Study of Sputter-induced Composition Modulation in Co-Cu alloy
Byung-Hyun Kim, Sang-Pil Kim, Kwang-Ryeol Lee, Yong-Chae Chung
KIST, 39-1 Hawolgok-dong, Seongbuk-gu, Seoul, 133-791, Korea
P -90 Molecular Dynamics Study of Tetrahedral Amorphous Carbon Film Growth
Minwoong Joe and
Kwang-Ryeol Lee
Korea Institute of Science and Technology, 39-1 Hawolgok-dong, Seongbuk-gu, 136-791, Seoul, Korea
P - 91 First Principles Calculations of Electronic Structures of F4-TCNQ Molecule on Graphene
Jiatao Sun, Wei Chen, Yuanping Feng, Andrew T. S. Wee
Department of Physics, National University of Singapore
P - 92 Local Elastic, Viscoelastic and Geological properties of the Thin polymer layers by means of Scanning Force Probe Microscopy
Nguyen Hoang Yen, Vo Thanh Tung, S.A. Chizhik, Nguyen Trong Tinh
Physics department, Hue Science university, 77 Nguyen Hue, Hue city, Vietnam and Heat and Mass Transfer Institute of National Academy of Sciences of Belarus,15 Provki str., Minsk, Belarus.
P - 93 Spatial Distribution of Transferred Charges at the Interface of TTF and TCNQ Organic Crystals
Won-joon Son and
Seungwu Han
Computational Materials Research Lab.,Ewha Womans University, Daehyun-dong, Seodaemun-gu, Seoul, South Korea
P - 94 Scattering Potentials at Impurity Dimers and Atomic Switch Design on Ge(001) and Si(001): First-principles Study
Binghai Yan, Chenchen Wang, Bing, Huang, Gang Zhou, Wenhui Duan, Binglin Gu, Kota Tomatsu, Fumio Komori, Andreia Luisa da Rosa, Thomas Frauenheim
BCCMS, Universität Bremen, Am Fallturm 1, 28359 Bremen, Germany
P - 95 A Comparative Study on the Optical Properties of Indenofluorene and Indenopyrazine
Areum Lee, Kyung Hyun Kim, Daejin Kim, Jong-Wook Park, Jae-Yun Jaung, Dong Hyun Jung
Insilicotech Co.,Ltd. A-1101, Kolontripolis, 210, Geumgok-Dong, Bundang-Gu, Seongnam, Gyeonggi-Do 463-943, Korea, South
P - 96 Modelling of Thermal Oxidation in Porous Silicon
Chumin Wang ,
Rodolfo Cisneros
Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, Apartado Postal 70-360, 04510, D.F., MEXICO
P - 97 Atomic Relaxation and Electronic Structure Investigation of Eu2+ doped β-SiAlON: Ab Initio Calculations
Dong Su Yoo, Sung-Ho Lee, Hong-Lae Park, and Yong-Chae Chung
Department of Materials Science and Engineering, Hanyang university, Seoul 133-791,Korea
P - 98 Combination of Molecular Dynamic Simulation and the Extended X-ray Absorption Fine Structure (EXAFS) Spectroscopy to Probe the Solvation Structure of Calcium ion in Alcohol and Polyvinyl alcohol
Kesorn Merat, Visit Vao-soongnern, Waraporn Tanthanuch
School of Chemistry Institute of Science Suranaree University of Technology, 111 University Avenue, Muang District, Nakhon Ratchasima, Thailand 30000
P - 99 First-Principles Analysis of Photoabsorption Spectra of (CdSe)34 Clusters in Pearl-Necklace Geometry
Momoko Nagaoka, Yoshifumi Noguchi, Soh Ishii, and Kaoru Ohno
Department of Physics, Graduate School of Engineering, Yokohama National University, 79-5 Tokiwadai, Hodogaya-ku, Yokohama 240-8501, Japan
P - 100 Finite Difference Time Domain Method Optimized for Full Analyses of Photonic Crystal Fibers
Ngoc Hai Vu, Du-Ho Jo, Byung-Chon Jeon, In-Kag Hwang
Department of Physics, Chonnam National University, 300 Yongbong-dong, Buk-gu, Gwangju 500-757, Korea
P - 101 The Photocatalysis of H2O Absorption on TiO2 Rutile (110) Studied by DFT Calculations
Dinh Son Thach, Nguyen Doan Thanh Vinh
12P, Thu Khoa Huan, phuong 1, My Tho, Tien Giang.
P - 102 Positively Charged Excitons in Quantum Dots
Nguyen Hong Quang, Duong Xuan Long, Vu Duc Tho
Institute of Physics, 10 Dao Tan, Ba Dinh, Hanoi
P - 103 Tracking Acetylene/Vinylidene Isomerization Process by Ultrashort Laser Pulses using High Harmonic Generation
Ngoc-Ty Nguyen, Bich-Van Tang, Van-Hoang Le
Ho Chi Minh University of Pedagogy 280 An Duong Vuong Street, District 5 Ho Chi Minh City
P - 104 The Investigation of the Effects of Ga-doping on the Electronic Structure and the Optical Properties of ZnO under the Density Functional Theory
Đinh Son Thach, Tran Nguyen Quynh Nhu
12P, Thu Khoa Huan, Phuong 1, My Tho, Tien Giang
P - 105 Opto-electronic and Magnetic Properties of the Mn-doped Indium in Oxide: A First-principles Study
Madhvendra Nath
Tripathi, Hiroshi Mizuseki, and Yoshiyuki Kawazoe
Institute for Materials Research(IMR), Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, 980-8577,Japan
P - 106 Vibration Signatures of OTe and OTe-VCd in CdTe: A First Principles Study
J. T-Thienprasert, S. Limpijumnong, L. Zhang, M.-H. Du, and D. J. Singh
Department of Physics, Kasetsart University, Phahon Yothin Rd, Chatuchak, Bangkok 10900, Thailand
P - 107 DFT Study on Elastic and Piezoelectric Properties of BaTiO3 Crystals
Xiangying Meng, Xiaohong Wen, Gaowu Qin
Collage of Sciences, Northeastern University, Shenyang, China
P - 108 Parametric Study of Left-Handed Combined Metamaterial
N. T. Tung, V. D. Lam, T. X. Hoai and
Y. P. Lee
Quantum Photonic Science Research Center, Hanyang University, Seoul, 133-791 Korea
P - 109 Gaint Moment Reduction of Fe Impurity in Dilute Pd-V Alloys
M. S. Bahramy, S. N. Mishra, G. P. Das and
Y. Kawazoe
Institute for Materials Research, Tohoku University, Sendai 980-85-77
P - 110 Direct Enumeration Studies of Band-Gap Properties of AlxGayIn1−x−yP Alloys
Sirichok
Jungthawan, Kwiseon Kim, Peter Graf, and Sukit Limpijumnong
Suranaree University of Technology, School of Physics Nakhon Ratchasima, 30000 THAILAND
P - 111 Electron Diffraction and High Resolution Electron Microscopy Techniques Study on the Microstructure of NdFeCoAl-(B,C) Based Alloys
Luu Tien Hung, Nguyen Hong Quang and
Nguyen Huy Dan
Department of Physics Vinh University, 182 - Leduan Str. - Vinh City – Nghean, Vietnam
P - 112 Structural Elements for Modelling the Elastic Properties of Graphene
V. I. Repchenkov, Y. E. Nagorny
Faculty of Mechanics and Mathematics, Belarus State University, av. Nezavisimosty 4, Minsk, Belarus.
P - 113 Synthesis, Characterization and Luminescence Properties of Schiff bases-Zn(II) complex: Experimental and Theoretical Study to Towards Application as Organic Light Emitting Diodes
Naser Eltaher
Eltayeb, Siang Guan Teoh and
Rohana Adnan
Universiti Sains Malaysia School of chemical Sciences Penang 11800 Malaysia
P - 114 First-principles Study of Hydrogen Storage Using Ca Atom with Functional Group
Manh Cuong Nguyen and
Jisoon Ihm
Department of Physics and Astronomy, Seoul National University, Seoul 151-747 Korea
P - 116 The Motion Behavior of Li Atom in LiBH4 Low temperature Phase, High temperature Phase, and the Intermediate State Structures
Qi Peng, and Yoshiyuki Kawazoe
IMR, Tohoku University, Aoba-ku, Sendai, Japan
P - 116 Stability of Polymoph in ZnO Under Different Loading Conditions
K. Sarasamak, A. J. Kulkani, M. Zhou, F. J. Ke, J. Wang, S. Limpijumnong
School of Physics, Institute of Science, Suranaree University of Technology,Nakhon Ratchasima, Thailand,30000
P - 117 Aggregation of Metal Adatoms on Si(001) in the Presence of C-defects
Leszek Jurczyszyn
Institute of Experimental Physics, University of Wroclaw, pl Maksa Borna 9, 50-204 Wrocław
P - 118 A Potential Model for Protonated Hydrogen Fluoride H+(HF)n Clusters
Q.C. Nguyen J. L. Kuo
School of Physical and Mathematical Sciences, Nanyang Technological University, Singapore
P - 119 Electronic Structure of InxGa1-xAsySb1-y Alloys
K.B. Joshi, N.N. Patel, C.B. Swarnkar and
Uttam Paliwal
Department of Physics University College of Science ML Sukhadia University Udaipur-313001 India
P - 120 Electronic and Structural Properties of g-Be3N2 by LCAO Method
K.B. Joshi and
U. Paliwal
Department of Physics University College of Science ML Sukhadia University Udaipur-313001 India