Kunhao Zhang

Size effects on negative thermal expansion in cubic ScF3

Scandium trifluoride (ScF3), adopting a cubic ReO3-type structure at ambient pressure, undergoes a pronounced negative thermal expansion (NTE) over a wide range of temperatures (10 K–1100 K). Here, we report the size effects on the NTE properties of ScF3. The magnitude of NTE is reduced with diminishing the crystal size. As revealed by the specific heat measurement, the low-energy phonon vibrations which account for the NTE behavior are stiffened as the crystal size decreases. With decreasing the crystal size, the peaks in high-energy X-ray pair distribution function (PDF) become broad, which cannot be illuminated by local symmetry breaking. Instead, the broadened PDF peaks are strongly indicative of enhanced atomic displacements which are suggested to be responsible for the stiffening of NTE-related lattice vibrations. The present study suggests that the NTE properties of ReO3-type and other open-framework materials can be effectively adjusted by controlling the crystal size.

Enhanced multiferroic properties of Aurivillius Bi6Fe1.4Co0.6Ti3O18 thin films by magnetic field annealing

We investigate the effect of high magnetic-field annealing on the microstructural, ferroelectric, and magnetic properties of Bi6Fe1.4Co0.6Ti3O18 thin films. The magnetic field can lower the energy barrier for nucleation and improve the grain connectivity. The application of magnetic field of 6T parallel to the film plane can substantially enhance the remnant polarization Pr from 18.1 to 29 μC/cm2 as a result of the variation in grain size and growth orientation caused by magnetic field annealing. Moreover, the remnant magnetization Mr is substantially improved from 2.48 to 4.56 emu/cm3 arising from the enhanced exchange coupling due to the better grain connectivity. These results demonstrate that high magnetic-field annealing is an effective way to optimize multiferroic properties of the Aurivillius compounds.

Thermal expansion behavior study of Co nanowire array with in situ x-ray diffraction and x-ray absorption fine structure techniques

In situ x-ray diffraction and x-ray absorption fine structure techniques were used to study the structural change of ordered Co nanowire array with temperature. The results show that the Co nanowires are polycrystalline with hexagonal close packed structure without phase change up until 700 °C. A nonlinear thermal expansion behavior has been found and can be well described by a quadratic equation with the first-order thermal expansion coefficient of 4.3×10−6/°C and the second-order thermal expansion coefficient of 5.9×10−9/°C. The mechanism of this nonlinear thermal expansion behavior is discussed.

Oxygen vacancies-induced metal-insulator transition in La2/3Sr1/3VO3 thin films: Role of the oxygen substrate-to-film transfer

Electrical transport properties of La2/3Sr1/3VO3 (LSVO) thin films grown on LaAlO3 (LAO) and SrTiO3 (STO) substrates have been investigated. It is found that the LSVO/LAO show metal-insulator transition when decreasing the temperature, while the LSVO/STO exhibit metallic behavior. The difference in transport properties of LSVO thin films has been discussed based on the variation of oxygen content and can be attributed to different oxygen substrate-to-film transfer. These results highlight the crucial role of oxygen stoichiometry in determining the physical properties of LSVO and the importance of oxygen-substrate contribution in LSVO thin films.

Small-angle X-ray scattering study on nanostructural changes with water content in red pine, American pine, and white ash

Wood is a highly sophisticated and multihierarchical material. The nanoscale structures in natural cell walls of red pine, American pine, and white ash specimens were investigated using the small-angle X-ray scattering (SAXS) technique. A tangent-by-tangent method was used to analyze the SAXS data. The results demonstrate that the multihierarchical scatterers in the three specimens can be divided into two dominant components, i.e., a sharp component and a wide component. The sharp component mainly corresponds to the contribution of cellulose microfibrils, and its size is almost unaffected by the water content. However, the wide component includes voids or microcracks and cellulose microfibril aggregates; its size changes, reflecting swelling and water accumulation in the voids or microcracks. Because of the different morphological features of the cell walls, softwood (red pine and American pine) displays different tendencies from hardwood (white ash) in terms of changes in the wide component with water content: the average scatterer size of the wide component has an incremental tendency with the water content in softwood, but it has a descending tendency in hardwood. Fractal analysis further revealed that in white ash the surface of scatterers is coarser and the scatterers form more compact nanostructures than in the two pine woods. All this nanostructural information can be used to explain well the difference of swelling behaviors between the two pines and the white ash.

A furnace to 1200 K for in situ heating x-ray diffraction, small angle x-ray scattering, and x-ray absorption fine structure experiments

A furnace with a water-cooled outside shell has been assembled to do in situ x-ray diffraction (XRD), small angle x-ray scattering (SAXS), and x-ray absorption fine structure (XAFS) experiments. The details of the furnace are described in this paper. The in situ XRD, SAXS, and XAFS experiments during the heating process demonstrate that the available temperature range of this furnace is from room temperature to 1200 K with a temperature accuracy of +/-0.1 K. By using this furnace, in situ XRD, SAXS, and XAFS experimental techniques with temperature change can be easily combined together.

Magnetic, dielectric properties, and scaling behaviors of Aurivillius compounds Bi6−x∕3Fe2Ti3−2x(WCo)xO18 (0 ≤ x ≤ 0.15)

We investigate the structural, magnetic, dielectric properties, and scaling behaviors of Aurivillius compounds Bi6−x∕3Fe2Ti3−2x(WCo)xO18 (0 ≤ x ≤ 0.15). The room-temperature weak ferromagnetism is observed for the W/Co co-doped samples. The results of the dielectric constant er, complex impedance Z″, the dc conductivity σdc, and hopping frequency fH manifest that the dielectric relaxation of the x = 0 sample and the doped samples in the dielectric anomaly region (450–750 K) can be ascribed to the trap-controlled ac conduction around the doubly ionized oxygen vacancies and the localized hopping process of oxygen vacancies, respectively. The scaling behaviors reveal that the dynamic process of both electrons in the x = 0 sample and oxygen vacancies in the doped samples is temperature independent. The ferroelectric Curie-temperature Tc decreases slightly from 973 K to 947 K with increasing the doping level of W/Co. In addition, the dielectric loss exhibits a dielectric relaxation above 800 K with the rather ...

Shape evolution with temperature of a thermotolerant protein (PeaT1) in solution detected by small angle X-ray scattering

The protein elicitor from Alternaria tenuissima (PeaT1) presented excellent thermotolerance and potential application in agriculture as a pesticide. Previous synchrotron radiation circular dichroism study demonstrated that the secondary structures in PeaT1 protein are reversible with temperature change. To further clarify the mechanism of its thermotolerance, synchrotron radiation small angle x‐ray scattering (SAXS) technique was used to study the shape change of PeaT1 protein with temperature in this article. Ab initio structure restorations based on the SAXS data revealed that PeaT1 protein has a prolate shape with a P2 symmetry axis along the prolate anisometric direction. With temperature increase, a gooseneck vase‐like (25°C), to jug‐like (55°C), then to oval (85°C) shape change can be found, and these shape changes are also approximately reversible with temperature decrease. PeaT1 protein contains two homogenous molecules, and each of them consists of F, NAC, T, and UBA domains. The structures of the four domains were predicted. Simulated annealing algorithm was used to superimpose the domain structures onto the SAXS shapes. It was found that all the structural domains have position rotation and translation with temperature change, but the NAC domains are relatively stable, playing a role of frame. This shape change information provides clues for further exploring its biological function and application. Proteins 2013.

Mini-beam modes on standard MX beamline BL17U at SSRF

The macromolecular crystallography beamlines at third-generation synchrotron facilities play a central role in solving macromolecular crystal structures and also in understanding the biological function at molecular levels. The MX beamline BL17U at Shanghai Synchrotron Radiation Facility is a typical standard MX beamline with a focused beam size (H × V) of FWHM around 80 μm × 45 μm. However the protein samples brought to the beamline are down to 5-10 m from the important and challenging science project now. These samples require smaller size beam. In order to achieve the mini-size beamline, two mini-beam modes have been developed on BL17U: the pinhole-based mini-beam and the focused mini-beam by compound refractive lens (CRL). Compared to the pinhole-based mode, three times increase in flux is obtained by the CRL mode at a similar beam size. The flux gain obtained by the CRL needs to be considered for data collection strategies. It takes few minutes to switch the beamline from the normal to CRL mini-beam mode.

In-Situ Heating Study on the Structural Change of Surfactant-Templated Germanium Oxide Mesostructure

Mesostructured germanium oxide has been well-synthesized by using a surfactant-templated approach under basic hydrothermal conditions. The cationic surfactant cetyltrimethylammonium bromide (CTAB) has formed nanotubes with uniform diameter of about 3.2 nm. Blanket-like morphology of the as-prepared sample has been observed with transmission electron microscopy (TEM). High-resolution TEM image reveals that the nanotubes are connected with inorganic germanium oxide and have self-assembled into periodic mesostructure. In-situ heating X-ray diffraction (XRD) patterns confirm that the germanium oxide is in amorphous phase in the temperature range from room temperature (RT) to 700 degrees C. In-situ heating small-angle X-ray scattering (SAXS) presents the mesostructural change with temperature. The local atomic structures around germanium atom have been obtained with in-situ heating X-ray adsorption fine structure (XAFS) techniques. The stability of this mesostructure has been determined to be correlated with the cationic surfactant CTAB. The structural evolution from the GeO 2/NaOH aqueous solution, the as-prepared sample to the sample heated at 700 degrees C, has been described, and the formation mechanism of mesostructured germanium oxide has been discussed.