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Journal Article

Multiscale, Multiphysics Computational Chemistry Methods Based on Artificial Intelligence Integrated Ultra-Accelerated Quantum Molecular Dynamics for the Application to Automotive Emission Control

2016-11-08
2016-32-0067
On the basis of extensive experimental works about heterogeneous catalysts, we developed various software for the design of automotive catalysts such as Ultra-Accelerated Quantum Chemical Molecular Dynamics (UA-QCMD), which is 10 million times faster than the conventional first principles molecular dynamics, mesoscopic modeling software for supported catalysts (POCO2), and mesoscopic sintering simulator (SINTA) to calculate sintering behavior of both precious metals (e.g., Pt, Pd, Rh) and supports (e.g., Al2O3, ZrO2, CeO2, or CeO2-ZrO2). We integrated the previous programs in a multiscale, multiphysics approach for the design of automotive catalysts. The method was efficient for a variety of important catalytic reactions in the scope of the automotive emission control. We demonstrated the efficiency of our approach by comparing our data with experimental results including both simple laboratory experiments and chassis dynamometer exhaust gas emission control experiments.
Journal Article

Multi-scale Theoretical Study of Sintering Dynamics of Pt for Automotive Catalyst

2009-11-02
2009-01-2821
The capability of theoretical durability studies to offer an efficient alternative methodology for predicting the potential performance of catalysts has improved in recent years. In this regard, multi-scale theoretical methods for predicting sintering behavior of Pt on various catalyst supports are being developed. Various types of Pt diffusions depending on support were confirmed by the micro-scale ultra accelerated quantum chemical molecular dynamics (UA-QCMD) method. Moreover, macro-scale sintering behavior of Pt/ɣ-Al2O3, Pt/ZrO2 and Pt/CeO2 catalyst were studied using a developed 3D sintering simulator. Experimental results were well reproduced. While Pt on ɣ-Al2O3 sintered significantly, Pt on ZrO2 sintered slightly and Pt on CeO2 demonstrated the highest stability against sintering.
Technical Paper

Antiferroelectric Liquid Crystal Display with Wide Viewing Angle for Automotive Application

1996-02-01
960528
A new display technology is presented in order to improve the value of automotive systems which use displays; such as navigation systems and future communication systems. Displays are becoming crucial to making the systems complete and user-friendly. A full-color antiferroelectric liquid crystal display has been developed featuring excellent display image quality and wide viewing angle characteristics. The antiferroelectric liquid crystal display has a completely different operation principle from any other LCD and makes it possible to realize image quality which is comparable to TFT-LCDs with a simple matrix structure.
Technical Paper

Fail-Safe Type Liquid Crystal Mirror for Automobiles

1987-02-01
870637
A new type of liquid crystal anti-glare mirror which satisfies the fail-safe condition, i.e. when electrical power supply of a mirror control is broken, the non-anti-glaring normal mode is always maintained has been developed. While, a conventional liquid crystal anti-glare mirror does not satisfy this fail-safe condition. The development of our new type mirror was supported by our improved surface treatment technique for the perpendicular alignments.
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