The dynamic scalar and tensor polarizabilities of the rare-earth-metal atoms are calculated with timedependent density functional theory. The frequency-dependent polarizabilities at imaginary frequencies are used to determine the isotropic and orientation-dependent van der Waals coefficients for the interactions of the rare-earth-metal atoms with helium atoms. The static polarizabilities are co...

The mechanism of the self-reaction of HCO radicals is investigated by using high-level quantum-chemical methods including M05-2X, CCSD, CCSD(T) and CRCC(2,3). Next, the rate coefficients for several product channels as a function of pressure and temperature are computed by employing statistical rate theories. Four important product channels are predicted to be CO + CO + H2, HCOH + OH, cis-(HCO)...

Model parameters of conditioned soils in head chamber of shield machine are determined based on tri-axial compression tests in laboratory. The loads acting on tunneling face are estimated according to static earth pressure principle. Based on Duncan-Chang nonlinear elastic constitutive model, the earth pressures on head chamber of shield machine are simulated. The variation of earth pressure on...

An effort is made to evaluate the formulation of seismic active earth pressure behind a nonvertical retaining wall supporting c-Ф backfill. The formulation is prepared to get a single critical wedge surface for simultaneous action of weight, surcharge, cohesion and adhesion. The success of any retaining structure involves the awareness of seismic active earth pressure. The effect of various par...