Browsing by Author "Zhang, JR"
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- ItemCrystal-liquid duality driven ultralow two-channel thermal conductivity in α-MgAgSb(AIP Publishing, 2024-03) Li, JY; Li, XY; Zhang, YS; Zhu, J; Zhao, E; Kofu, M; Nakajima, K; Avdeev, M; Liu, PF; Sui, Jiehe; Zhao, HSZ; Wang, FW; Zhang, JRThe desire for intrinsically low lattice thermal conductivity (κL) in thermoelectrics motivates numerous efforts on understanding the microscopic mechanisms of heat transport in solids. Here, based on theoretical calculations, we demonstrate that α-MgAgSb hosts low-energy localized phonon bands and avoided crossing of the rattler modes, which coincides with the inelastic neutron scattering result. Using the two-channel lattice dynamical approach, we find, besides the conventional contribution (∼70% at 300 K) from particlelike phonons propagating, the coherence contribution dominated by the wavelike tunneling of phonons accounts for ∼30% of the total κL at 300 K. By considering dual contributions, our calculated room-temperature κL of 0.64 W m−1 K−1 well agrees with the experimental value of 0.63 W m−1 K−1. More importantly, our computations give a nonstandard κL ∝ T−0.61 dependence, perfectly explaining the abnormal temperature-trend of ∼T−0.57 in experiment for α-MgAgSb. By molecular dynamics simulation, we reveal that the structure simultaneously has soft crystalline sublattices with the metavalent bonding and fluctuating liquid-like sublattices with thermally induced large amplitude vibrations. These diverse forms of chemical bonding arouse mixed part-crystal part-liquid state, scatter strongly heat-carrying phonons, and finally produce extremely low κL. The fundamental research from this study will accelerate the design of ultralow-κL materials for energy-conversion applications. © 2024 AIP Publishing LLC
- ItemEffects of post heat treatment on the microstructure and mechanical properties of wire arc additively manufactured Hastelloy C276 alloy(Elsevier, 2021-07) Qiu, ZJ; Wu, BT; Wang, ZY; Wexler, D; Carpenter, K; Zhu, HL; Muránsky, O; Zhang, JR; Li, HJPost-processing is often inevitable for most additively manufactured components in order to improve material properties and product quality. In this study, the influence of post-heat treatments (PHTs) at 871 °C and 1177 °C on the microstructure and mechanical properties of a nickel-base Hastelloy C276 alloy prepared using wire arc additive manufacturing (WAAM) were investigated. The results showed that after a PHT at 871 °C, the as-built alloy was strengthened due to the formation of a large amount of Mo-rich nano-sized μ phase in the interdendritic areas. This was at the expense of a significant ductility loss. In contrast, no μ phase precipitates were observed after PHT at 1177 °C. Furthermore, the 1177 °C treatment led to the dissolution of the Mo-rich p phase which was present in the as-built sample, increased solid-solution strengthening, and improvements in both strength and ductility concurrently. This study enables an improved understanding of post-processing-microstructure-property inter-relationships for Hastelloy C276 alloy prepared by WAAM, providing guidelines for further microstructure optimization through PHT to improve the material's mechanical properties. © 2021 Elsevier Inc.
- ItemOn the structure of α-BiFeO3(American Chemical Society, 2013-03-04) Wang, H; Yang, CX; Lu, J; Wu, MM; Su, J; Li, K; Zhang, JR; Li, GB; Jin, T; Kamiyama, T; Liao, FH; Lin, JH; Wu, YCPolycrystalline and monocrystalline α-BiFeO3 crystals have been synthesized by solid state reaction and flux growth method, respectively. X-ray, neutron, and electron diffraction techniques are used to study the crystallographic and magnetic structure of α-BiFeO3. The present data show that α-BiFeO3 crystallizes in space group P1 with a = 0.563?17(1) nm, b = 0.563?84(1) nm, c = 0.563?70(1) nm, α = 59.33(1)°, ? = 59.35(1)°, ? = 59.38(1)°, and the magnetic structure of α-BiFeO3 can be described by space group P1 with magnetic modulation vector in reciprocal space q = 0.0045a* ? 0.0045b*, which is the magnetic structure model proposed by I. Sosnowska(1) applied to the new P1 crystal symmetry of α-BiFeO3. © 2013 American Chemical Society