the hydrogenation characterizations of the hydrogen storage alloy mmni4.22co0.48mn0.15al0.15 (mm= mischmetal), and the effect of hydrogenation/dehydrogenation (h/d) cycling on its structural and morphological properties are investigated. the results indicate that after several h/d cycles the alloy was pulverized into fine particles, but it kept its hexagonal cacu5-type structure. the pressure-c...

A consistent description of the hydrogen permeation through metal membrane based on hydrogen chemical potential proposed has been explained in detail. The hydrogen flux is proportional to the PCT factor, fPCT, consistently, which reflects the shape of the pressure-composition-isotherm (PCT curve) of the material. In addition, in view of the PCT factor, fPCT, and the ductile-to-brittle transitio...

Chemical composition of interfaces—free surfaces and grain boundaries—is generally described by the Langmuir–McLean segregation isotherm controlled by Gibbs energy of segregation. Various components of the Gibbs energy of segregation, the standard and the excess ones as well as other thermodynamic state functions—enthalpy, entropy and volume—of interfacial segregation are derived and their phys...

We calculated the inherent structure of a model melt of zinc ~II! bromide over a wide range of densities. Stable, metastable, and unstable branches were obtained for the zero temperature pressure–volume isotherm of the inherent structure. The pressure–volume isotherm, the void distribution, and the structure factor were used to identify the spinodal, independent of any model equation of state. ...

Competitive hybridization, at the surface and in the bulk, lowers the sensitivity of DNA chips. Competitive surface hybridization occurs when different targets can hybridize with the same probe. Competitive bulk hybridization takes place when the targets can hybridize with free complementary chains in the solution. The effects of competitive hybridization on the thermodynamically attainable per...

A theory of contact angle hysteresis of a meniscus inside thin capillaries with smooth, homogeneous solid walls is developed in terms of surface forces (disjoining/conjoining pressure isotherm) using a quasi-equilibrium approach. The disjoining/conjoining pressure isotherm includes electrostatic, intermolecular, and structural components. The values of the static receding θr, advancing θa, and ...

Atomistic simulations were used to calculate the isothermal elastic properties for b-, a-, and d-octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine ~HMX!. The room-temperature isotherm for each polymorph was computed in the pressure interval 0<p<10.6 GPa and was used to extract the initial isothermal bulk modulus Ko and its pressure derivative using equations of state employed previously in exper...