The magnetocrystalline anisotropy energies (MAEs) of the ferromagnetic metals bcc Fe, fcc and hcp Co, and fcc Ni have been calculated by using the ab initio tight-binding method. Disentangling the strong correlation among the d orbitals with the Hamiltonian in the local spin-density approximation, we have investigated the orbital polarizations induced by the Hubbard U and Racah B. The experimen...

The aim of this study was to measure the levels of nickel in the skin contaminant layer of workers involved in specific processes and tasks within the primary nickel production and primary nickel user industries. Dermal exposure samples were collected using moist wipes to recover surface contamination from defined areas of skin. These were analysed for soluble and insoluble nickel species. Pers...

Ab initio molecular dynamics simulations are used to solve the long-standing problem of calculating the free energies of unstable phases, such as fcc W. We find that fcc W is mechanically unstable with respect to long-wavelength shear at all temperatures considered (T>2500 K), while the short-wavelength phonon modes are anharmonically stabilized. The calculated fcc-bcc enthalpy and entropy diff...

Structural reorientations in metallic fcc nanowires are controlled by a combination of size, thermal energy, and the type of defects formed during inelastic deformation. By utilizing atomistic simulations, we show that certain fcc nanowires can exhibit both shape memory and pseudoelastic behavior. We also show that the formation of defect-free twins, a process related to the material stacking f...

Abstract Quaternary placer deposits are becoming increasingly important. Remote sensing is a very powerful tool in discriminating altered areas related to intrusion deposits, which has significantly reduced the cost and time of exploration. In this study, to identify iron-bearing alluvial zones within the 1:100000 sheet of Hamedan, satellite image processing techniques such as band ratio (BR),...

The objective of the present investigation was to study the influence of the occupational nickel exposure on the concentration of nickel in nasal mucosa, plasma and urine. Plasma, urine and biopsy specimens of nasal mucosa from 318 nickel workers, 15 retired nickel workers and 57 non-exposed controls were analyzed for nickel by atomic absorption spectrometry. The results showed that nickel expo...

The aim of this study is to obtain a model that can simulate the performance of an industrial Fluidised Catalytic Cracking (FCC) unit in steady and dynamic state, and which will subsequently be used in studies of control and real time optimisation. In this paper, a dynamic model for a R2R type FCC unit is presented. The model includes the riser, the stripper/disengager, the regeneration system ...

Although nickel is an essential element for animal nutrition, the physiological role of nickel is not yet established. Pathological alterations of nickel metabolism are recognized in several human diseases. The diverse clinical manifestations of nickel toxicology include: (1) acute pneumonitis from inhalation of nickel carbonyl, (2) chronic rhinitis and sinusitis from inhalation of nickel aeros...

Key Points Fire  Elemental nickel dust and nickel carbonyl are flammable  Nickel is incompatible with acids, oxidizing agents and sulphur  Nickel and nickel carbonyl react violently with oxidants  Nickel and nickel compounds emit toxic fumes and vapours of nickel carbonyl when heated to decomposition  In the event of a fire involving nickel carbonyl, use fine water spray and gas tight kit ...