We have proposed a combination of density functional theory calculations and interatomic potential-based simulations to study the structural, electronic, and mechanical properties of pure-silica zeolite Linde Type A (LTA), as well as two titanium-doped compositions. The energetics of the titanium distribution within the zeolite framework suggest that the inclusion of a second titanium atom with...

the no removal over oxide sorbents (k2o/al2o3 , cao/al2o3 and bao/al2o3) at a loading of up to 25 wt.% was investigated using a synthetic diesel exhaust gas containing  1,000 ppm no, 1000 ppm iso-butane (i-c4h10), 8% o2 and n2 balance. the reactor was operated  at 250 oc to 450 oc for the activity study. no was effectively stored (removal efficiencies between 30-60 %) as nitrate under experimen...

Mechanical alloying of Ti-Si and NiTi was performed by high-energy ball milling at ambient temperature. The structural and compositional evolutions during mechanical alloying were investigated. Results showed that the crystallite size of mechanically alloyed Ti-Si and Ni-Ti powders decreased with increasing milling time and the steady-state crystallite size was approximately 10 nm. The mechanic...

Organic-inorganic hybrid sols (Ti-O-Si precursor) were first synthesized by the sol-gel method at low addition of water, and were then employed to prepare a highly refractive hybrid optical film. This film was obtained by blending the Ti-O-Si precursor with 2-phenylphenoxyethyl acrylate (OPPEA) to perform photo-polymerization by ultraviolet (UV) irradiation. Results show that the film transpare...

The microstructure of melt extracted Ti-44Al-8Nb-0.2W-0.2B-1.5Si fiber were investigated. When the rotation speed increased from 2000 to 2600 r/min, the appearance of the wire was uniform with no Rayleigh-wave default. The structure was mainly composed of fine α₂ (α) phase dendritic crystal and a second phase between dendrite arms and grain boundaries. The precipitated second phases were confir...

BACKGROUND Inversion recovery (IR) pulse sequences can generate T1-weighted images with a different range of inversion time (TI) to suppress or null the signal intensity (SI) for a specified tissue. In this study, we aimed to investigate the effect of TI values on the concentration of the contrast agent, which leads to a minimum signal intensity, using an inversion recovery T1-weighted 3-dimens...

Given a directed graphD = (V,A) with a set of d specified vertices S = {s1, . . . , sd} ⊆ V and a function f : S → Z+ where Z+ denotes the set of non-negative integers, we consider the problem which asks whether there exist ∑d i=1 f(si) in-trees denoted by Ti,1, Ti,2, . . . , Ti,f(si) for every i = 1, . . . , d such that Ti,1, . . . , Ti,f(si) are rooted at si, each Ti,j spans vertices from whi...

In the title compound, [Ti(C(8)H(13)Si)(C(11)H(21)Si(2))Cl(2)], the Ti(IV) atom is bonded to two Cl atoms, one 1,3-bis-(trimethyl-sil-yl)cyclo-penta-dienyl (Si(2)Cp) and one (trimethyl-sil-yl)cyclo-penta-dienyl ring (SiCp). The Si(2)Cp centroid-titanium distance is 2.0763 (10) Å and the SiCp centroid-titanium distance is 2.0793 (10) Å. The angle subtended at the Ti atom by the centroids of both...

Compact Si–Ti–O and Si–Zr–O mixed oxide thin films are studied by optical characterization refractive index, band gap energy and local probes Auger parameter obtained by x-ray photoelectron spectroscopy . Interpretation of the obtained results is discussed in the framework of the classical dielectric theory that correlates the macroscopic refractive index to the microscopic electronic polarizab...