The structure of high-temperature liquids is an important topic for understanding the fragility of liquids. Here we report the structure of a high-temperature non-glass-forming oxide liquid, ZrO2, at an atomistic and electronic level. The Bhatia-Thornton number-number structure factor of ZrO2 does not show a first sharp diffraction peak. The atomic structure comprises ZrO5, ZrO6 and ZrO7 polyhe...

This paper characterizes phases present in thin Zr films at 773 K of substrate temperature. The effect of pulsed parameters such as pulse frequency, duty cycle and pulse power during the deposition of Zr film on Si(100) at the substrate temperature of 773 K has been studied. Formation of α-phase of zirconium was noticed with (001) preferred orientation at 773 K. Preferred orientation was found ...

bis(indenyl)zirconium dichloride as a catalyst was synthesized using a modified method at the room temperature. polymerization of ethylene and copolymerization of ethylene and propylene were carried out by this metallocene catalyst. ethylene propylene (p/e) feed ratios of 0.25, 0.5, 1, and 2 were employed into the copolymerization systems. copolymerization conditions like cocatalyst/catalyst ra...

Understanding radiation performance of nanocrystalline Zr-based alloys is essential to develop internal components and external cladding materials with self-healing capabilities for longer and safer life cycles in harsh reactor environments. However, the precise role of interfaces in modifying defect production and evolution in α-Zr is not yet determined. Using atomistic simulation methods, we ...

In the title compound, [Zr(C(6)H(4)NO(2))(4)]·2H(2)O, the Zr(IV) atom is located on a crystallographic fourfold rotoinversion axis ([Formula: see text]) and is coordinated by four picolinate anions with Zr-O and Zr-N distances of 2.120 (2) and 2.393 (2) Å, respectively. An approximate square-anti-prismatic coordination polyhedron of the N,O-coordination ligand atoms is formed, with a distortion...

Increased electrical conductivity in fine-grained (Zr,Hf)NiSn based thermoelectric materials with nanoscale precipitates Han-Hui Xie,1 Cui Yu, Tie-Jun Zhu,• ·a> Chen-Guang Fu, G. Jeffrey Snyder, and Xin-Bing Zhao 1 . 1 State Key Laboratory of Silicon Materials and Department of Materials Science and Engineering, Zhejiang University, Hangzhou 310027, China Cyrus Tang Center for Sensor Materials ...

In this paper we investigate the adsorption of various probe molecules in order to characterize the porous structure of a series of pillared interlayered clays (PILC). To that aim, volumetric and microcalorimetric adsorption experiments were performed on various Zr PILC samples using nitrogen, toluene, and mesitylene as probe molecules. For one of the samples, neutron scattering experiments wer...

It is generally accepted that the electrochemical discharge capacity of a hydrogen storage alloy is closely related to its crystal characteristics. From our experiment, the discharge capacity of AB type Laves phase hydrogen storage alloy ZrCr Mn V Ni 2 0.4 0.2 0.1 1.3 21 21 decreased sharply from 324 mAh g to 25 mAh g after amorphization by mechanically milling the crystalline (as-cast) alloy w...

Alkyl zirconocene cations have been of considerable inter-est as reactive species in many polymerization processes. In the crystal structure of the title compound, [Zr(C12H19)(C5H5)2](C36HB2F30O), the [Zr(C5H5)2((t-Bu)C=C(H)-C2(t-Bu))](+) cation displays a buta-1-en-3-yne ligand side-on coordinated to a typical bent zirconocene [centroid(cp)-Zr-centroid(cp) = 131.4 (3)°, Zr-C(buta-1-en-3-yne) =...

A chemical equilibrium study was performed to investigate the effect of growth parameters on the constitution in ZrC films grown by chemical vapor deposition (CVD). The equilibrium analysis of the Zr–C–H system demonstrated that ZrC (fcc) deposition is favorable and that a certain minimum amount of hydrogen should prevent co-deposition of elemental carbon over a wide range of temperature, press...