ISSM-SOFC 2013 Program
9:00
9:30

Monday 11th Mar.
Registration
OpeningSession I
Chair: Tatsuya Kawada
9:40 - 10:25 (I-1) Invited Talk
Subhash C. Singhal (Pacific Northwest National Laboratory)
Present status of SOFC research and development
Chair: Michihisa Koyama
10:25 - 10:55 (O-1) Tatsuya Kawada (Tohoku University)

Engineering SOFC electrodes based on in situ characterizations
10:55 - 11:15 (O-2) Shin-ichi Hashimoto (Tohoku University)

Non-stoichiometry and phase stability of La 0.6Sr0.4Co0.2Fe0.8O3-δ cathode
11:15 - 11:35 (O-3) Jun Kubota (University of Tokyo)

Infrared Spectroscopic Approach for the Understanding of the Catalysis of Ni on YSZ
and GDC
11:35 - 11:55 (O-4) Hiroki Muroyama (Kyoto University)

In-situ analysis of chemical state and crystalline structure of samaria-doped ceria in hightemperature reducing atmospheres
11:55 - 12:15 (O-5) Haruo Kishimoto (AIST)
12:15-13:30

Effect of the Oxide Substrate on the Property of Nickel Surface
Lunch

Session II
Chair: Michihisa Koyama
13:30 - 14:15 (I-2) Invited Talk
Kunal Karan (University of Calgary)
Modeling Sulfur poisoning of SOFC Ni anodes: Insights and Issues
Chair: Koji Amezawa
14:15 - 14:45 (O-6) Dayadeep Monder (IIT Hyderabad)

An atomistic model for sulfur poisoning of SOFC anodes
14:45 - 15:15 (O-7) Michihisa Koyama (Kyushu University)

Application of Computational Chemistry to Practical Issues in Solid Oxide Fuel Cells
15:15 - 15:35 (O-8) Teppei Ogura (Kyushu University)

Computational analyses for sulfur and carbon degradation mechanisms in an SOFCnickel
15:35 - 15:55 (O-9) Tomofumi Tada (Tokyo Institute of Technology)

15:55 - 18:00
18:00 - 20:00

First principles calculations and kinetic Monte Carlo simulations for chemical reaction
analysis at the Ni/H2/YSZ triple phase boundary
Poster with coffeeBanquet

Tuesday 12th Mar.
9:00

Registration

Session III
Chair: Naoki Shikazono
Invited Talk
Paul Shearing (University College London)
Understanding the Role of Microstructure in SOFC Performance

9:30 - 10:15 (I-3)

Chair: Tatsuya Kawada
10:15 - 10:45 (O-10) Naoki Shikazono (University of Tokyo)
Three Dimensional Numerical Modeling of Ni-YSZ Anode10:45 - 11:05 (O-11) Zhenjun Jiao (University of Tokyo)

Simulation of Solid Oxide Fuel Cell Anode Microstructure Evolution by Using thePhase Field Method
11:05 - 11:25 (O-12) Shotaro Hara (University of Tokyo)

Monte Carlo Modeling on Microstructural Evolution in Solid Oxide Fuel Cell
Cermet Anode11:25 - 11:45 (O-13) Yoshitaka Umeno (University of Tokyo)

Atomistic modeling of yttria-stabilized zirconia: Interatomic potential development andab initio calculations
11:45 - 12:05 (O-14) Moon Young Yang (University of Tsukuba)
12:05-13:30

Theoretical Investigation for Designing High Quality ReRAM
LunchSession IV
Chair: Koji Amezawa
13:30 - 14:15 (I-4) Invited TalkJürgen Janek (Justus-Liebig-Universität Giessen)Electrode processes on YSZ studied by in situ XPS, SPEM, and ToF-SIMS
Chair: Tomofumi Tada
14:15 - 14:45 (O-15) Koji Amezawa (Tohoku University)

In Situ X-Ray Absorption Spectroscopy for Analysis of SOFC Reactions and Materials
14:45 - 15:05 (O-16) Keiji Yashiro (Tohoku University)

Oxygen reduction reaction at hetero-interface electrode of perovskite-related oxides
15:05 - 15:25 (O-17) Shogo Miyoshi (University of Tokyo)

High surface reactivity of La/Sr-Co perovskite-based cathode with cationnonstoichiometry
15:25 - 15:45 (O-18) Bin Feng (University of Tokyo)

15:45

Oxygen nonstoichiometry in CeO 2 grain boundaries: a combined atomic resolution
STEM and ab initio studyClosingPoster presentations (Monday 11th Mar., 15:55-18:00)
Poster Session
Shixue Liu, Takayoshi Ishimoto, Haruhiko Kohno and Michihisa Koyama
P1
Analysis of oxygen potential effect on the anodic reactions of solid oxide fuel cell based on firstprinciples calculations
Haruhiko Kohno, Shixue Liu, Teppei Ogura, Takayoshi Ishimoto and Michihisa Koyama
P2Toward a new numerical scheme for the analysis of the triple phase boundary region in solidoxide fuel cell anode
Leton C. Saha, Kazuhide Nakao, Takayoshi Ishimoto and Michihisa Koyama
P3
Reactive molecular dynamics studies of CH4 reactivity with/without CO and H coverage on solidoxide fuel cell anode
Kazuhide Nakao, Haruhiko Kohno, Takayoshi Ishimoto and Michihisa Koyama
P4
Nickel sintering property analysis by using molecular dynamics
P5P6David S. Rivera Rocabado, Takayoshi Ishimoto and Michihisa Koyama
Density functional theory study on the catalytic properties of BaTiO 3 as solid oxide fuel cell
anodeJunya Oishi , Junichiro Otomo, Yoshito Oshima and Michihisa Koyama
The effects of minor components in LSCF cathode on oxygen reduction reaction

P7

Shu-Sheng Liu, Michihisa Koyama, Shoichi Toh, Takeshi Daio and Syo Matsumura
Microstructure observation of Ni/YSZ interface

P8

Takaaki Shimura and Naoki Shikazono
Quantitative Analysis of SOFC Anode Microstructure Change During Redox Cycles

P9

Xiaojun Sun, Yosuke Hasegawa and Naoki Shikazono
Calculation of contact angles at triple phase boundary in SOFC anode using Level Set Method

P10

Albert M. Iskandarov, Atsushi Kubo and Yoshitaka Umeno
Many-body potential for molecular dynamics simulation of Yttria-stabilized zirconia

P11

Shotaro Hara, Satoshi Izumi and Shinsuke Sakai
Atomistic study on Self-diffusion Properties of Cation in Yttria-stabilized Zirconia

P12

Yu Sun and Shotaro Hara
Atomistic study on surface segregation and diffusion of cation in YSZ

P13

Dhruba Panthi and Atsushi Tsutsumi
Computational fluid dynamics study of a hollow fiber-based micro-tubular solid oxide fuel cell

P14

Hauk Metelmann, Andreas Laufer, Daniel Reppin, Swen Graubner, Angelika Polity, Bruno K.
Meyer, Sebastian Geburt and Carsten Ronning
Quantification of Impurities in Metal Oxides

P15

Rolas Timbul Doloksaribu, Shogo Miyoshi and Shu Yamaguchi
Proton conductivity in nano-grained yttria-doped zirconia

P16

Joon Young Yoon, Dong Young Kim, Shogo Miyoshi and Shu Yamaguchi
Variation of local structure in doped BaZrO 3

Poster presentations (Monday 11th Mar., 15:55-18:00)
Poster Session
Yuta Kimura, Julian Tolchard, Mari-Ann Einarsrud, Tor Grande, Koji Amezawa,
P17Shin-ichi Hashimoto and Tatsuya Kawada
Young’s modulus and ferroelasticity of La 0.6Sr0.4Co1-yFeyO3-δ at high temperatures
P18

Yuki Gonoi, Shin-ichi Hashimoto Hashimoto and Tatsuya Kawada
Effect of mechanical stress on oxygen non-stoichiometry of La 0.6Sr0.4CoO3-δ

P19

Takashi Nakamura, Keiji Yashiro, Kazuhisa Sato, K. Amezawa and Junichiro Mizusaki
Oxygen defects and crystal structure of layered perovskite oxides

P20

Mina Nishi, Harumi Yokokawa, Katsuhiko Yamaji, Haruo Kishimoto and Teruhisa Horita
Oxygen partial pressure dependence of oxide ionic diffusion in LaNi 0.6Fe0.4O3

P21

Shiho Torashima and Jun Kubota
Infrared Study on Support Effect of Ni/GDC

P22

Adibah Hani
TBA