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Technical Programme - Materials Research Society of Singapore ...

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Symposium Q - Computational <strong>Materials</strong> Design at All Scales: From Theory to Application<br />

Q-S5.32(P) A01935-03345 pg Q50<br />

Itinerant Flat-Band Magnetism in Hydrogenated<br />

Carbon Nanotubes<br />

Xiaoping YANG, Gang WU<br />

Q-S5.33(P) A01954-03378 pg Q50<br />

Analytical and Numerical Study on The Excitonic<br />

Ground States <strong>of</strong> Spherical Quantum Dots in<br />

Colloidal CdTe Nanocrystal: A Multiband Approach<br />

Moh. Adhib ULIL ABSOR, Muh. Darwis UMAR,<br />

Kamsul ABRAHA<br />

Q-S5.34(P) A01964-03396 pg Q50<br />

Modeling <strong>of</strong> Pressure-Composition-Temperature<br />

Curves for Hydrogen Storage <strong>Materials</strong><br />

Vasileios TSEROLAS, Masahiko KATAGIRI<br />

Q-S5.35(P) A01972-03404 pg Q51<br />

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Methane Molecules<br />

Weixin XU, Yuguang MU<br />

Q-S5.36(P) A01980-03418 pg Q51<br />

Large Magnetic Moments in Double-exchange<br />

Molecular Ferromagnets<br />

Lei SHEN, Shuo-Wang YANG, Yuanping FENG<br />

Q-S5.37(P) A02017-03474 pg Q53<br />

Structural Stability in Hydrogen-Storage <strong>Materials</strong><br />

- Role <strong>of</strong> Atomic Relaxation in Hydrogen-Induced<br />

Amorphization -<br />

Masahiko KATAGIRI, Hidehiro ONODERA,<br />

Hiroshi OGAWA<br />

Q-S5.38(P) A02017-03546 pg Q54<br />

First Principles Calculation <strong>of</strong> Phonon and<br />

Thermodynamic Properties <strong>of</strong> LaNi 5 -H<br />

Masahiko KATAGIRI, Shigeki SAITO<br />

Q-S5.39(P) A02111-03638 pg Q55<br />

Doping Effect on V-H System<br />

Yoshinori TANAKA, Vasileios TSEROLAS,<br />

Hidehiro ONODERA, Masahiko KATAGIRI,<br />

Hiroshi OGAWA<br />

Q-S5.40(P) A02115-03649 pg Q56<br />

Evolution <strong>of</strong> Void and Constitutive Descriptions <strong>of</strong><br />

Casting Magnesium Alloy<br />

Bin CHEN, Xianghe PENG, Shitao SUN,<br />

Jianguo WANG<br />

Q-S5.41(P) A02115-03650 pg Q56<br />

Investigation on the Hierarchical and Helical<br />

Microstructures <strong>of</strong> Amadis Cone Shell<br />

Bin CHEN, Xianghe PENG, Shitao SUN,<br />

Jianguo WANG<br />

Q-S5.42(P) A02145-03695 pg Q57<br />

Half-metallic Silicon Carbide Nanoribbons<br />

Weifeng LI, Yuguang MU, Mingwen ZHAO<br />

Q-S5.43(P) A02323-03979 pg Q59<br />

Design and Fabrication <strong>of</strong> Quasi-multilayer Arrays<br />

for the Flat-band Pass Filters on UV-Vis Wavelength<br />

Region<br />

Jong-Bin YEO, Hyun-Yong LEE<br />

Q-S5.44(P) A02323-04003 pg Q59<br />

Normalized Characteristics <strong>of</strong> the Photonic Bandgaps<br />

in Two-dimensional Photonic Quasicrystals with a<br />

Hexagonal Lattice by FDTD Simulation<br />

Jong-Bin YEO, Hyun-Yong LEE<br />

Q-S5.45(P) A02344-04034 pg Q60<br />

First-Principles Structural and Lattice Dynamical<br />

Study <strong>of</strong> SnO 2<br />

Bipul RAKSHIT, Amit KHARE, Sankar P SANYAL,<br />

Massimo CELINNO<br />

Q-S5.46(P) A02635-04520 pg Q63<br />

Applications <strong>of</strong> Polycrystalline Model to Surface<br />

Roughening Simulations<br />

C.-L. CHEN, K.-C. LIAO<br />

Q-S5.47(P) A02817-04890 pg Q64<br />

Micromagnetic Investigation <strong>of</strong> Spin Distribution<br />

and Magnetic Reversal <strong>of</strong> Hard/s<strong>of</strong>t Multilayers with<br />

Perpendicular Easy Axes<br />

Guoping ZHAO, Chengwei XIAN, Chun YANG<br />

Q-S6: Magnetic <strong>Materials</strong> - I<br />

Wednesday, 1 July 2009<br />

10:30-12:30<br />

Level 2, Room 201<br />

10:30 Q-S6.1-2(IN) A00630-01133 pg Q22<br />

Magnetism and Superconductivity in Layered Iron-<br />

Compounds: Mechanisms and Implications for the<br />

Discovery <strong>of</strong> New <strong>Materials</strong><br />

David J. SINGH<br />

11:00 Q-S6.3-4(IN) A02897-04953 pg Q64<br />

Magnetism and Transport in Functionalised Carbon<br />

Nanostructures<br />

Risto M. NIEMINEN<br />

11:30 Q-S6.5-6(IN) A01272-03720 pg Q35<br />

Multifunctional Oxides from Density Functional<br />

Calculations<br />

Ponniah RAVINDRAN, Ravindran VIDYA,<br />

Helmer FJELLVÅG<br />

12:00 Q-S6.7-8(IN) A02110-03637 pg Q55<br />

Cohesive and Magnetic Properties <strong>of</strong> Clean and<br />

Doped Grain Boundaries in Iron and Chromium<br />

Adam KIEJNA, Tomasz OSSOWSKI,<br />

Elwira WACHOWICZ<br />

pg 229<br />

Q

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