Browsing by Author "Chen, H"
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- ItemAdditively manufactured Haynes-282 monoliths containing thin wall struts of varying thicknesses(Elsevier, 2022-09-01) Lim, B; Chen, H; Nomoto, K; Chen, Z; Saville, AI; Vogel, SC; Clarke, AJ; Paradowska, AM; Reid, M; Primig, S; Liao, XZ; Babu, SS; Breen, AJ; Ringer, SPMagnitude and distribution of residual stresses in additively manufactured Ni-based superalloys may impact the mechanical performance of as-fabricated parts. Though electron beam powder bed fusion (E-PBF) can produce components with minimal defects and residual stresses compared to laser powder bed fusion and directed energy deposition, variations of them may occur within the complex geometry of a component, due to inherent variations of thermal signatures and the evolution of section modulus along the build direction. This work reveals the residual stress distribution, characterised from neutron diffraction, of an as-fabricated Haynes 282 monolith containing internal cube voids and thin wall struts of varying thicknesses. Complementary local hardness measurements and multi-scale microscopy were used to investigate the geometry-structure-property relationships. Observed variations in hardness were attributed to a combination of type I macro-scale residual stresses and variations in bimodal γ′ precipitation behaviour. The results highlight the influence of residual stresses and microstructure on the mechanical properties of E-PBF Haynes 282. © 2022 The Author(s). Published by Elsevier B.V. This is an open access article under the CC BY-NC-ND license
- ItemCollective nonlinear electric polarization via defect-driven local symmetry breaking(Royal Society of Chemistry, 2019-05-17) Dong, W; Cortie, DL; Lu, T; Sun, QB; Narayanan, N; Hu, WB; Jacob, L; Li, Q; Yu, DH; Chen, H; Chen, AP; Wei, XY; Wang, G; Humphrey, MG; Frankcombe, TJ; Liu, YIn this work, we report the defect-mediated, abnormal non-linear polarization behavior observed in centrosymmetric rutile TiO2 where less than 1 at% of sterically mismatched Mg2+ ions are introduced to create ferroelectric-like polarization hysteresis loops. It is found that the Image ID:c9mh00516a-t2.gif defect cluster produces a dipole moment exceeding 6 Debye, with a rotatable component. Such a polarization is further enhanced by the displacement of neighboring Ti4+ ions. The coupling between such defect-driven symmetry-breaking regions generates a collective nonlinear electrical polarization state that persists to high temperatures. More importantly, an observation of abnormal bias shift of polarization hysteresis suggests an antiparallel alignment of certain dipoles frozen relative to the external poling electric field, which is associated with oxygen vacancy hopping. This result challenges the long-standing notion of parallel alignment of dipoles with the external electric field in ferroelectrics. This work also reveals an unexpected new form of non-linear dielectric polarization (non-ferroelectricity) in solid-state materials. © Royal Society of Chemistry 2024
- ItemCritical role of the coupling between the octahedral rotation and a-site ionic displacements in PbZrO3-based antiferroelectric materials investigated by in situ neutron diffraction(American Physical Society, 2017-12-21) Lu, T; Studer, AJ; Yu, DH; Withers, RL; Feng, Y; Chen, H; Islam, SS; Xu, Z; Liu, YThis in situ neutron-diffraction study on antiferroelectric (AFE) Pb0.99(Nb0.02Zr0.65Sn0.28Ti0.05)O3 polycrystalline materials describes systematic structural and associated preferred orientation changes as a function of applied electric field and temperature. It is found that the pristine AFE phase can be poled into the metastable ferroelectric (FE) phase at room temperature. At this stage, both AFE and FE phases consist of modes associated with octahedral rotation and A-site ionic displacements. The temperature-induced phase transition indicates that the octahedral rotation and ionic displacements are weakly coupled in the room-temperature FE phase and decoupled in the high-temperature FE phase. However, both temperature and E-field-induced phase transitions between the AFE and high-temperature FE phase demonstrate the critical role of coupling between octahedral rotation and A-site ionic displacements in stabilizing the AFE structure, which provides not only experimental evidence to support previous theoretical calculations, but also an insight into the design and development of AFE materials. Moreover, the associated preferred orientation evolution in both AFE and FE phases is studied during the phase transitions. It is found that the formation of the preferred orientation can be controlled to tune the samples’ FE and AFE properties. ©2017 American Physical Society - Open access
- ItemDefect structure and property consequence when small Li+ ions meet BaTiO3(American Physical Society, 2020-08-31) Narayanan, N; Lou, Q; Rawal, A; Lu, T; Liu, Z; Chen, J; Langley, J; Chen, H; Hester, JR; Cox, N; Fuess, H; McIntyre, GJ; Li, G; Yu, DH; Liu, YIn the present work the longstanding issue of the structure and dynamics of smaller ions in oxides and its impact on the properties was investigated on 7% Li-doped BaTiO3. The investigation combined several techniques, notably neutron powder diffraction (NPD), nuclear magnetic resonance (7Li-NMR), electron paramagnetic resonance (EPR), electron microprobe, electric polarization (EP) measurement, and electronic structure calculations based on density-functional theory (DFT). Electron microprobe confirmed multiple phases, one containing incorporated Li in the BaTiO3 host lattice and another glassy phase which breaks the host lattice due to excessive Li accumulation. While the average structure of Li in BaTiO3 could not be determined by NPD, 7Li-NMR revealed one broad “disordered” and multiple “ordered” peaks. Local structure models with different defect types involving Li+ were modeled and the corresponding chemical shifts (δ) were compared with experimental values. It is found that the closest defect model describing the ordered peaks, is with Ti4+ being replaced by four Li+ ions. The biexponential behavior of the spin-lattice relaxation of the ordered peaks each with a short and a long relaxation discloses the existence of paramagnetic ions. Finally, EPR revealed the existence of the paramagnetic ion Ti3+ as a charge-transfer defect. DFT calculations disclosed local antipolar displacements of Ti ions around both types of defect sites upon insertion of Li+. This is in accordance with the experimental observation of pinching effects of the EP in Li-doped BaTiO3. These studies demonstrate the huge impact of the local structure of the doped smaller/lighter ions on the functional properties of oxides. ©2020 American Physical Society
- ItemDefect structure-property correlations in Li doped BaTiO3(Australian Institute of Nuclear Science and Engineering (AINSE), 2020-11-11) Narayanan, N; Lou, Q; Rawal, A; Lu, T; Liu, Z; Chen, J; Langley, J; Chen, H; Hester, JR; Cox, N; Fuess, H; McIntyre, GJ; Li, G; Yu, DH; Liu, Y; Li, GIn the present work we investigate the important issue of the structure and dynamics of smaller ions in oxides and the resulting impact on its functional properties. For this purpose, we selected a 7% Li-doped BaTiO3. Li is a vital ingredient in novel energy storage technologies such as Li-ion batteries. The smaller Li-ion can influence the structural stability, homogeneity, local environment, and dynamic behavior of the host lattice, affecting and optimizing the dielectric and multiferroic properties of novel polar functional materials [1-2]. However, the Li-ion positions and dynamics in functional materials are not completely understood, controversially discussed and are the subject of extensive ongoing research [3]. Furthermore, sample inhomogeneity due to Li migration to the grain boundary and/or development of multiple phases complicates the elucidation of the structure-property correlations that may lead to incorrect interpretations [4]. The selection of BaTiO3 as the host lattice is due to materials based on this being considered as the alternative to the piezoelectric lead zirconate titanate, citing environmental issues [5]. BaTiO3 also crystallizes in a simple perovskite structure and Li ions can be effectively doped into it at lower doping levels. Very recently, field-dependent electric polarization measurements on BaTiO3 exhibited a polarization–electric field double hysteresis loop upon Li doping [4]. These drastic changes to the electric polarization, related to the doping poses a good test case for the investigation of the Li induced defect structure model and its influence on the functional properties. To elucidate the above structure-property correlations, we combined several techniques, such as neutron powder diffraction electron microprobe associated with the wavelength-dispersive spectroscopy, 7Li nuclear magnetic resonance spectroscopy (NMR), electron paramagnetic resonance (EPR), electric polarization measurement, and theoretical calculations based on density functional theory [6].
- ItemThe formation of defect-pairs for highly efficient visible-light catalysts(Wiley, 2017-01-23) Sun, QB; Cortie, DL; Zhang, SY; Frankcombe, TJ; She, GW; Gao, J; Sheppard, LR; Hu, WB; Chen, H; Zhuo, SJ; Chen, DH; Withers, RL; McIntyre, GJ; Yu, DH; Shi, WS; Liu, YHighly efficient visible-light catalysts are achieved through forming defect-pairs in TiO2 nanocrystals. This study therefore proposes that fine-tuning the chemical scheme consisting of charge-compensated defect-pairs in balanced concentrations is a key missing step for realizing outstanding photocatalytic performance. This research benefits photocatalytic applications and also provides new insight into the significance of defect chemistry for functionalizing materials. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim
- ItemHighly efficient visible light catalysts driven by Ti3+-VO-2Ti4+-N3− defect clusters(Wiley, 2018-10-13) Sun, QB; Zhang, SY; Cortie, DL; Langley, J; Cox, N; Frankcombe, TJ; Gao, J; Chen, H; Withers, RL; Kremer, F; Yu, DH; Brink, F; Shi, WS; Liu, YLocal defect structures play significant roles on material properties, but they are seriously neglected in the design, synthesis, and development of highly efficient TiO2-based visible light catalysts (VLCs). Here, we take anatase TiO2 nanocrystals that contain (Ti3+, N3−) ions and have the complicated chemical formula of (Ti1-x4+Tix3+)(O2-2-y-zNy3-□z) as an example, and point out that the formation of Ti3+-VO-2Ti4+-N3− local defect clusters is a key missing step for significantly enhancing VLC properties of host TiO2 nanocrystals. Experimental and theoretical investigations also demonstrate the emergent behaviors of these intentionally introduced defect clusters for developing highly efficient VLCs. This research thus not only provides highly efficient visible light catalysts for various practical applications but also addresses the significance of local defect structures on modifying material properties. © 2019 Wiley-VCH Verlag GmbH & Co.
- ItemHighly efficient visible light catalysts driven by Ti3+‐VO‐2Ti4+‐N3− defect clusters(Wiley, 2018-10-13) Sun, QB; Zhang, SY; Cortie, DL; Langley, J; Cox, N; Frankcombe, TJ; Gao, J; Chen, H; Withers, RL; Kremer, F; Yu, DH; Brink, F; Shi, WS; Liu, YLocal defect structures play significant roles on material properties, but they are seriously neglected in the design, synthesis, and development of highly efficient TiO2‐based visible light catalysts (VLCs). Here, we take anatase TiO2 nanocrystals that contain (Ti3+, N3−) ions and have the complicated chemical formula of ()(□z) as an example, and point out that the formation of Ti3+‐VO‐2Ti4+‐N3− local defect clusters is a key missing step for significantly enhancing VLC properties of host TiO2 nanocrystals. Experimental and theoretical investigations also demonstrate the emergent behaviors of these intentionally introduced defect clusters for developing highly efficient VLCs. This research thus not only provides highly efficient visible light catalysts for various practical applications but also addresses the significance of local defect structures on modifying material properties. © 1999-2024 John Wiley & Sons, Inc or related companies.
- ItemLithiated Prussian blue analogues as positive electrode active materials for stable non-aqueous lithium-ion batteries(Springer Nature, 2022-12-16) Zhang, Z; Avdeev, M; Chen, H; Yin, W; Kan, WH; He, GPrussian blue analogues (PBAs) are appealing active materials for post-lithium electrochemical energy storage. However, PBAs are not generally suitable for non-aqueous Li-ion storage due to their instability upon prolonged cycling. Herein, we assess the feasibility of PBAs with various lithium content for non-aqueous Li-ion storage. We determine the crystal structure of the lithiated PBAs via neutron powder diffraction measurements and investigate the influence of water on structural stability and Li-ion migration through operando X-ray diffraction measurements and bond valence simulations. Furthermore, we demonstrate that a positive electrode containing Li2-xFeFe(CN)6⋅nH2O (0 ≤ x ≤ 2) active material coupled with a Li metal electrode and a LiPF6-containing organic-based electrolyte in coin cell configuration delivers an initial discharge capacity of 142 mAh g−1 at 19 mA g−1 and a discharge capacity retention of 80.7% after 1000 cycles at 1.9 A g−1. By replacing the lithium metal with a graphite-based negative electrode, we also report a coin cell capable of cycling for more than 370 cycles at 190 mA g−1 with a stable discharge capacity of about 105 mAh g−1 and a discharge capacity retention of 98% at 25 °C. © The Authors CC 4.0
- ItemNarrowed bandgaps and stronger excitonic effects from small boron nitride nanotubes(Elsevier, 2009-07-16) Yu, J; Yu, DH; Chen, YS; Chen, H; Lin, MY; Cheng, BM; Li, J; Duan, WThe bandgap of boron nitride nanotubes (BNNTs) is generally considered to be independent on tube radius and chirality. However, we have observed that the bandgaps of BNNTs do depend on the tube size. Photoluminescence excitation spectroscopy with variable photon energies in vacuum ultraviolet (VUV) range revealed that the bandgap becomes smaller when the tube diameter decreases. This is consistent with red-shifted luminescent emissions. The strong interactions between excitons and phonons are possibly responsible for the bandgap narrowing as the function of nanotube size. © 2009, Elsevier Ltd.
- ItemSusceptible ferroelectric/antiferroelectric phase transition near the surface of Nb-doped lead zirconate stannate titanate from surface processing(American Chemical Society, 2016-05-23) Lu, T; Studer, AJ; Cortie, DL; Lau, K; Yu, DH; Feng, Y; Chen, H; Xu, Z; Withers, RL; McIntyre, GJ; Liu, YThis work systematically investigated the structure and property of the near-surface and bulk regions of Pb0.99(Nb0.02Zr0.73Sn0.21Ti0.04)O3 ceramics using a combination of X-ray and neutron diffraction, piezoresponse force microscopy, and conventional ferroelectric/piezoelectric characterization. It is found that mechanical force can induce an antiferroelectric/ferroelectric phase transition within micrometers of the surface. Such a phase transition is strongly dependent on the processing scenario, leading to differences from the bulk region. This work provides crucial insights into the sensitivity of this class of AFE materials. Clearly, surface processing conditions must be taken into account for both accurate structural determination and practical applications. © 2016 American Chemical Society