A chemomechanical actuator utilizing a reaction-diffusion wave across gap junction was constructed toward a novel mircoconveyer by micropatterned self-oscillating gel array. Unidirectional propagation of the chemical wave of the Belousov-Zhabotinsky (BZ) reaction was induced on gel arrays. In the case of using a triangle-shaped gel as an element of the array, the chemical wave propagated from the corner side of the triangle gel to the plane side of the other gel (C-to-P) across the gap junction, whereas it propagated from the plane side to the corner side (P-to-C) in the case of the pentagonal gel array. Numerical analysis based on the Keener-Tyson model was done for understanding the mechanism of unidirectional propagation in triangle and pentagonal gel arrays. The swelling and deswelling changes of the gels followed the unidirectional propagation of the chemical wave.
The kinetics of the (110) bcc //(111) fcc heterointerface of iron during the fcc-bcc phase transformation has been investigated by molecular dynamics simulation. The various orientation relationships (ORs) between Nishiyama-Wasserman (N-W) and Kurdjumow-Sachs (K-S) ORs, which are experimentally observed, were examined. The planar propagation of the fcc-bcc heterointerface was observed in the case of the N-W and near N-W ORs, whereas a fast needlelike growth after initial planar growth was observed in the case of the K-S and near K-S ORs. The transformation started from the matching area of the fcc and bcc lattice and followed the Bain transformation path. It was confirmed that the difference in the matching area of the fcc and bcc lattices at the interface between the N-W and K-S ORs causes the two different propagation behaviors. In addition, the distribution of the atomic stress in the system during phase transformation was examined. The residual atomic stress was distributed toward the [010] bcc direction after the transformation in the case of the N-W OR. The change in the direction of the Bain deformation path during phase transformation caused a fast needlelike growth after the initial planar propagation in the case of the K-S OR.
The chemical forms of carbon leaching from carbon-containing Zr and Fe-based metallic materials have been investigated to improve the estimation of the contribution of C-14 in the performance assessment of TRU waste disposal. Both organic and inorganic carbons were identified in the leached solution with carbon containing zirconium and steel, and the concentrations of total carbon (organic plus inorganic) in the leached solutions increased with time. The carbon concentrations in the leached solution for both metallic samples were higher at higher pH. With High Performance Liquid Chromatography (HPLC), organic carbons were identified to be low-molecular weight alcohols, carboxylic acids and aldehydes.To explore the chemical state of carbon in the matrix materials, the leaching experiments were carried out also for ZrC, Fe 3 C, the powder mixtures of carbon and zirconium, and of carbon and iron. The low-molecular weight organic carbons were detected only in the case of carbides (ZrC and Fe 3 C). The chemical forms of carbon in the zirconium alloy were suggested to be carbide or carbon by H.D.Smith [1]. The present result suggests that the chemical forms of carbon in zirconium or iron are mainly in the form of carbide.In the interest of performance assessment, the distribution coefficients of the organic carbon species identified in the leached solution for cement were obtained. As expected, some of them were shown to be larger than the values assumed in the performance assessment of Progress Report on Disposal Concept for TRU Waste in Japan [2].
Bidirectional phase transformation between bcc and fcc iron is investigated by molecular dynamics simulation using the Finnis-Sinclair potential with a cutoff function in the atomic charge density. It is confirmed that the influence distance (i.e., cutoff distance) of the atomic charge density affects the relative stability between the bcc and fcc phases at high temperature: the bcc is stable at a long cutoff distance and the fcc is stable at a short cutoff distance. Hence, the bidirectional phase transformation across the A3 point comes true by changing the cutoff distance at the A3 point. The propagation of an fcc-bcc heterointerface with a Nishiyama-Wassermann orientation relationship is then examined by relaxation of an fcc-bcc biphasic system at various temperatures. The fcc-to-bcc phase transformation is observed below the A3 point, whereas the heterointerface does not move to any direction at the A3 point. On the other hand, the bcc-to-fcc phase transformation is observed above the A3 point, which has not been successful in previous studies using the original Finnis-Sinclair potential.
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