Magnetic nanoparticles are used in adsorptive removal of heavy metals from polluted wastewater. However, their poor stability in an acidic medium necessitates their protection with a coating layer. Coating magnetic nanoparticles with carbon showed proper protection but the heavy metal removal efficiency was slightly weak. However, to boost the removal efficiencies of surface functionalization, ...

We report ab initio calculations of nonequilibrium quantum transport properties of Fe/MgO/Fe trilayer structures. The zero bias tunnel magnetoresistance is found to be several thousand percent, and it is reduced to about 1000% when the Fe/MgO interface is oxidized. The tunnel magnetoresistance for devices without oxidization reduces monotonically to zero with a voltage scale of about 0.5-1 V, c...

Hip osteoarthritis may be initiated and advanced by abnormal cartilage contact mechanics, and finite element (FE) modeling provides an approach with the potential to allow the study of this process. Previous FE models of the human hip have been limited by single specimen validation and the use of quasi-linear or linear elastic constitutive models of articular cartilage. The effects of the latte...

Pedestrian head impact with windscreen is one of the major causes for pedestrian severe injury or fatality. A FE model is established with shell and solid elements representing different layers of a laminated windscreen. Major strain criterion is used to deal with the failure of windscreen. Simulation results are validated by Euro NCAP pedestrian head-to-windscreen impact tests. The results sho...

A detailed analysis of the radiative and Auger de-excitation channels of K-shell vacancy states in Fe –Fe  has been carried out. Level energies, wavelengths, A-values, Auger rates and fluorescence yields have been calculated for the lowest fine-structure levels populated by photoionization of the ground state of the parent ion. Different branching ratios, namely Kα 2 /Kα 1 , Kβ/Kα, KLM/KLL,...

The Dirac spin liquid ground state of the spin 1/2 Heisenberg kagome antiferromagnet has potential instabilities. This has been suggested as the reason why it does not emerge as the ground state in large-scale numerical calculations. However, previous attempts to observe these instabilities have failed. We report on the discovery of a projected BCS state with lower energy than the projected Dir...

Using structure-directing agents, pore space partitions of a Zn-phosphonocarboxylate framework have been achieved. Selective adsorption of CO(2) over N(2) has been greatly improved from ca. 9 : 1 to 94 : 1.

X iv :1 10 1. 07 75 v1 [ ph ys ic s. so cph ] 4 J an 2 01 1 Percolate or die: Multi-percolation decides the struggle between competing innovations Carlos P. Roca, Moez Draief, and Dirk Helbing 1Chair of Sociology, in particular of Modeling and Simulation, ETH Zurich, Clausiusstrasse 50, 8092 Zurich, Switzerland 2Intelligent Systems and Networks Group, Imperial College London, South Kensington C...

Identification of physical parameters for soft objects is important for surgical simulation, human modeling, and food engineering. In this paper, we propose an approach to estimate the physical parameters of uniform rheological deformation based on 2D/3D finite element (FE) model simulation. At first, the FE dynamic model was described and simulations were done with initial parameters. Then, th...

The electronic structure of the Fe-based superconductor Ba(0.6)K(0.4)Fe(2)As(2) is studied by means of angle-resolved photoemission. We identify dispersive bands crossing the Fermi level forming hole-like (electron-like) Fermi surfaces (FSs) around Γ (M) with nearly nested FS pockets connected by the antiferromagnetic wavevector. Compared to band structure calculation findings, the overall band...