We report here the compositional dependency of face-centered cubic (FCC) to hexagonal close-packed (HCP) martensitic transformation in FeMnCo medium entropy alloys (MEAs) and insights into underlying mechanisms. To this end, we designed MEAs with same Fe-to-Mn ratio explored phase stability therein. Higher Co content was found facilitate FCC-HCP kinetics. In situ electron backscatter diffractio...

A thermally induced hexagonal close-packed (HCP) to face-centered cubic (FCC) phase transition was investigated in an α-type Ti35 alloy with twinned structure by situ heating transmission electron microscopy (TEM) and ab initio calculations. TEM observations indicated that the HCP FCC occurred both within matrix/twin at twin boundaries thinner region of film, FCC-Ti precipitated as plates matri...

State-of-the-art first-principles calculations based on density-functional theory were performed on CH3(CH2)n21S-Au(111) systems. We show that the adsorption site of methylthiolate at a range of coverages on the Au~111! surface is the fcc site, not the hcp site as has been recently reported. Further, we report that increasing alkane chain length enhances the fcc site preference. Study of the el...

Ultra-wideband (UWB) signals originated from research and development work on high resolution radiofrequency (RF) radar systems in the 1950-60s. The current FCC regulations in the US, define a UWB signal as having an absolute bandwidth which exceeds 500 MHz or fractional bandwidth over 20%. The FCC frequency band assigned to UWB systems extends from 3.1 GHz to 10.6 GHz, i.e. a bandwidth of 7.5 ...

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We present results from density functional theory and computer simulations that unambiguously predict the occurrence of first-order freezing transitions for a large class of ultrasoft model systems into cluster crystals. The clusters consist of fully overlapping particles and arise without the existence of attractive forces. The number of particles participating in a cluster scales linearly wit...

The finite-temperature magnetism of Ni and permalloy in body-centered-cubic bcc and face-centered-cubic fcc phases is studied theoretically using ab initio supercell calculations and Green’s function methods. The results confirm and explain the general experimental trend that the fcc phases have higher Curie temperatures than the bcc counterparts. In addition, the spin-wave stiffness constants ...

The partial occupation numbers and density of states (DOS), and the total DOS at the Fermi level are calculated as a function of reduced atomic volume for bcc and fcc alkali metals employing the linearmuffin-tin-orbital (LMTO) method. By means of the abrupt changes obtained in the partial and total DOS values at the Fermi level, good agreement with regard to experiment were found in predicting ...