Interface compound studies on the Au-In system [1,2] have shown that Auln 2 is formed below and around room temperature. Auln2 exhibits a CaF2 structure of cubic symmetry leading to a vanishing electric field gradient (EFG) at the lattice sites. Application of the perturbed angular correlation (PAC) method to detect the other intermetallic compounds formed in the interface region at elevated te...

Here, we propose an extension of the Partition of Unit Finite Element Method (PUFEM) and a numerical procedure for the solution of J2 plasticity problems. The proposed method is based in the Moving Least Square Approximation (MLSA) and is capable of overcoming singularity problems, in the global shape functions, resulting from the consideration of linear or higher order base functions, in the c...

The electric field gradient (EFG) at the nuclei of the 5 sp impurities In, Sn, Sb, I and Xe in Cd metal is investigated on the basis of supercell band structure calculations of C d15M (M = I n , . . . , Xe). The theoretical results show the same trend as the experimental findings. The differences in the EFG for different impurities are related to the charge distribution and partial densities of...

We present a framework to solve for best responses and equilibria in an extensive-form game (EFG) of imperfect information by transforming the game into a set of Markov decision processes (MDPs), and then applying simulation-based reinforcement learning to those MDPs. More specifically, we first transform a turn-taking partially observable Markov game (TT-POMG) into a set (one per player) of pa...

Electrostatic potential (EP), electric field (EF), and electric field gradient (EFG) values are calculated in periodic models of magnesium substituted phillipsite (MgPHI) zeolite forms using periodic DFT (PDFT) hybrid B3LYP level with fourteen different basis sets. Relative root mean square differences between the EP, EF, or EFG values estimated between different basis sets are evaluated in sev...

The nuclear quadrupole interaction of the first excited I=1 state of Sc in the anatase and rutile modifications of bulk TiO2 was determined by time-differential perturbed-angular correlation of rays. New LaBr3 Ce scintillators with excellent energy resolution allowed us to separate the 68 and 78 keV lines of the cascade. For anatase, an almost axially symmetric electric field gradient EFG with ...

Ab initio calculations of electric field gradients (EFG) and conversion to nuclear quadrupole coupling constants (NQCC) are described, with particular reference to N and l 0 , ' 'B . The correlation of EFG and NQCC for a series of boranes leads to the value 8.32 MHz/a.u. (0.0354 barn) for Q( n B). The structural variations of these microwave and single molecule calculations of 10, n B NQCC are ...

Theoretical calculations of structural parameters, 57Fe, 14N and 17 O electric field gradient (EFG) tensors for full size-hemin group have been carried out using density functional theory. These calculations are intended to shed light on the difference between the geometry parameters, nuclear quadrupole coupling constants (QCC), and asymmetry parameters (eta Q) found in three spin states of hem...

this article deals with the buckling analysis of perfectly bonded cross-ply laminated composite plates reinforced by wavy carbon nanotubes (cnts) under in-plane loads using element free galerkin (efg) method based on first-order shear deformation theory (fsdt). the wavy single-walled cnts and poly-co-vinylene are used for the fibers and the matrix, respectively. the cnt fibers are distributed i...