J-OCTA Users Conference 2014
Last Updated : November 20, 2014
Outline
| Organizer | JSOL Corporation |
|---|---|
| Dates | Friday, November 21, 2014 |
| Venue | Tokyo Conference Center Shinagawa (Tokyo, Japan) http://www.tokyo-cc.co.jp/eng/access.html  |
| Expected number of participants | Approximately 100 |
| Participation fees | J-OCTA User : Free Non User : 10,000(JPY) |
Program & Registration
| 09:50-10:00 | Opening Speech |
|---|---|
| 10:00-11:00 |
J-OCTA new function and development road map
Dr. Taku Ozawa, JSOL Corporation
Latest new function of J-OCTA and release shchedule will be annnced. |
| 11:00-12:00 | Keynote Speech 1 How to analyze the meaningful information from simulation data - Analyses of directed self assembly and filler filled materials
Dr. Hiroshi Morita, Senior Researcher, Nanosystem Research Institute, National Institute of Advanced Industrial Science and Technology (AIST)
OCTA includes not only many kinds of simulators but also platform "Gourmet" which plays an important role in the simulation procedures.Especially in the post-process of simulation, "Gourmet" is used for the analysis of the simulation results. The analysis is one of the most important steps for our simulation studies. This is because in the analysis steps we have done the translation from our raw data to meaningful information along our objectives. In this talk, we focus on the analysis to obtain the meaningful information from raw simulation data in our two studies, such as the directed self assembly (DSA) as a block copolymer lithography techniques and the filler filled polymeric materials. |
| 12:00-13:00 | Lunch Time |
| 13:00-14:00 | Keynote Speech 2 Atomistic simulation of curing and mechanical properties of Epoxy resin
Dr. Tomonaga Okabe ,Professor, Graduate School of Engineering, Department of Aerospace Engineering, Tohoku University
Resin Transfer Molding (RTM) is hoped to be the next generation manufacturing process for fiber reinforced plastic composites. Mitsubishi regional jet uses the composite parts made by the RTM process. To improve the manufacturing process, it is very important to understand the curing properties and mechanical properties of Epoxy resin. In this talk, first, the reason why the RTM is considered to be a useful manufacturing process will presented using the typical application. Second, the atomistic simulation addressing the curing properties and mechanical properties of Epoxy resin will be presented. |
| 14:00-14:30 |
The uniaxial elongation coarse-grained MD simulation of glassy polymers
Mr. Naoki Kobayashi, Researcher, Advancing Analysis Laboratory, Mitsui Chemicals, Inc.
In the amorphous glassy polymer, relation by the mechanical properties under large deformation and the entanglement density of polymer chain was pointed out. We have studied nonlinear elongational behavior of glassy polymers by using numerically bead-spring model chains with various entanglement density. After the yield but before the finite-extensibility becomes important, the stress is well described by the neo-Hookean model with the modulus proportional to the entanglement density. Effect of the chain scission is included by cutting the bonds when the bonding force exceeds a critical value. It has been found that the stress at large strain takes a steady value which is proportional to the critical force. |
| 14:30-15:00 | Coffee Break |
| 15:00-15:30 |
Molecular Dynamics Study on Structure Property Relationship of Weld-line in Injection molded Polypropylene
Dr. Katsuyuki Yokomizo, Senior Research Scientist, Research and Development Division, Japan Polychem Corporation
Weld-line is one of the visual and structural defects appearing in injection molded parts. In this study, a coarse grained molecular dynamics simulation for interdiffusion of polymer flow fronts as found in a weld-line was performed. It was observed that the time evolution of the interfacial thickness was suppressed by shear flow for a chain whose length is longer than entanglement length. From an analysis of the autocorrelation function of end-to-end vector, it was postulated that relaxation of the chain orientation was responsible for creating chain entanglements between the oriented polymers in weld-line interface. Microstructure of weld-lines was characterized using polarized laser Raman spectroscopy and micro-cutting analysis. It was experimentally found that relaxation of the chain orientation was a primary mechanism to minimize the strength reduction caused by weld-lines. |
| 15:30-16:00 |
Classical molecular dynamics study on the electrolyte property confined in graphite nanopore of EDLC
Dr. Yasuaki Okada, Analysis Department, Murata manufacturing Co., Ltd.
Electric Double-Layer Capacitors (EDLC) have been expected as promising energy devices for their high power density and high thermal stability. The electric properties of EDLC are affected by the mobility of electrolyte molecules and the pore size of porous graphite electrodes. In the present study, we have performed classical molecular dynamics (MD) calculations to clarify the effect of pore-size and solvent upon the electrolyte properties. |
| 16:00-16:30 |
A coarse grained molecular dynamics simulation of poly-butadiene
Dr. Hiroshi Shima, Research Department, 2 Central Research Division, Bridgestone Corporation
We studied molecular dynamics of poly-butadiene using a coarse grained potentials obtained by the Iterative Boltzmann Inversion method. The evaluated entanglement time τe is around 300ns in cis-poly-butadiene and the evaluated entanglement molecular weight is 2400, which is fairly comparable to the experimental result. The coarse grained model enables 1000 times longer simulation compared to all atomistic model. |
| 16:30-16:45 | Coffee Break |
| 16:45-17:15 |
Large scale simulation of thermoplastic elastomer with multi scaling
Dr. Takashi Honda, Foundation Technology Laboratory, R & D Center, ZEON CORPORATION
Node density biased Monte Carlo (NDBMC) method is the multiscale method to generate bead-spring (BS) polymer structure from the segment density profiles obtained with the SCFT. We have parallelized the NDBMC method with the MPI library and generated a large scale BS model of a real TPE: styrene-isoprene-styrene (SIS) triblock copolymer. The coarse-grained MD simulations run by using the BS model and stress-strain curves with small fluctuation were obtained. |
| 17:15-17:50 |
Multiscale simulation of composite materials
Dr. Noriyo Ichinose, JSOL Corporation
Latest method and case studies about multiscale modeling and simulation of composite materials are shown. |
| 17:50- | Closing Speech |
| 18:00-19:30 | Convivial Party |
Contact
J-OCTA Users Conference 2014 Secretariat
Engineering Technology Division
JSOL Corporation
E-Mail : event@sci.jsol.co.jp
TEL : +81-3-5859-6020
FAX : +81-3-5859-6035
