Measurement and understanding of the microscopic pathways materials follow as they transform is crucial for the design and synthesis of new metastable phases of matter. Here we employ femtosecond single-shot X-ray diffraction techniques to measure the pathways underlying solid-solid phase transitions in cadmium sulfide nanorods, a model system for a general class of martensitic transformations....

We report calculations of the vibrational spectrum of HD2 in its first-excited electronic state by using a coordinate-transformation technique. The implications of the geometric phase (GP) effect in the spectrum have been investigated. The results show that the lowest 45 vibrational levels calculated using the traditional Longuet-Higgins phase (φ/2, where φ is the pseudorotation angle) are in g...

Phase transformation cyclic voltammetry (CV) was developed by integrating mixed-control phase transformation theory and charge transfer effect with traditional CV model. This mixed-control phase transformation CV model was validated by good agreement between experimental CV data and simulated values from phase transformation CV for LiFePO4. The lithium ion diffusion coefficient (10-16 m2 s-1) o...

the molybdenum dicilicide is an intermetallic compound with two allotropies tetragonal ?-mosi2 and hexagonal ?-mosi2.the ?-mosi2 phase is established to 1900 ?c and ?-mosi2 phase from 1900 to 2050 ?c. this material has considerable properties that provide different applications in different industries such as air-space industry and gas turbines. the molybdenum synthesis can be down in various w...

Microstructure evolution in complex nonlinear systems is of great interest from both scientific and engineering viewpoints. Here, we consider an important case of such an evolution, a coherent decomposition of a homogeneous parent phase involving the symmetry-lifting crystal lattice rearrangement of the product phase. It is shown that under certain conditions the transformation develops as a ps...

We prove that majorization relations hold step by step in the Quantum Fourier Transformation (QFT) for phase-estimation algorithms considered in the canonical decomposition. Our result relies on the fact that states which are mixed by Hadamard operators at any stage of the computation only differ by a phase. This property is a consequence of the structure of the initial state and of the QFT, ba...

TiO2/SiO2 nanocomposite with molar ratio 1:1 was synthesized by a free calcination sol-gel method using titanium tetra chloride and tetraethylorthosilicate as raw materials. In the composite, TiO2 nanocrystals are highly dispersed in the amorphous SiO2 matrix and the mater showed size quantization effect arising from the presence of extremely small titanium oxide species having a low coordinati...

Two organometallic compounds containing zinc and manganese in different ratios are used as single-source precursors for the preparation of various new, bimetallic oxide materials with nanoscaled dimensions. It is shown that the materials synthesis can be performed in the solid-state, the liquid-phase, and even in the gas-phase. The molecular composition of the precursors determines the composit...

In this paper we present a concept of a rigorous approach that provides a formal semantics for a fundamental subset of UML. This semantics is derived by translating a given UML model into a graph transformation system, allowing modelers to actually execute their UML model. The graph transformation system comprises graph transformation rules and a working graph which represents the current state...