نتایج جستجو برای: 3d fe
تعداد نتایج: 265299 فیلتر نتایج به سال:
Soil nailing is a popular reinforcement method for stabilizing slopes, excavations, and retaining walls in many countries. The pullout capacity of the soil-nail interface is a critical parameter for the design and safety assessment of soil-nailed systems. In this paper, a three-dimensional (3D) finite element (FE) model is developed using the commercial program ABAQUS to simulate the pullout te...
It is believed that frequent Fe doses decrease the efficiency of absorption as a consequence of the loading of intestinal mucosal cells with Fe from the previous supplemental dose. We examined this premise in thirty anaemic Sprague-Dawley rats given Fe supplements as FeSO4 in 1 g preparations of a 50:50 (w/w mixture of low-Fe diet and sucrose under one of the following regimens: one 3 mg Fe dos...
Prevention of osteoporotic fractures requires accurate methods to detect the increase in bone fragility at an early disease stage as well as effective therapies to reduce the risk of bone fractures. Presently the prediction of the patient-specific bone fracture risk is primarily based on bone density, since this is the only parameter which can routinely be measured in vivo. However, these predi...
The complex correlation of structure and magnetism in highly coercive monoatomic FePt surface alloys is studied using scanning tunneling microscopy, x-ray magnetic circular dichroism, and ab initio theory. Depending on the specific lateral atomic coordination of Fe either hard magnetic properties comparable to that of bulk FePt or complex noncollinear magnetism due to Dzyaloshinski-Moriya inter...
The electronic structure and magnetic properties of the graphene/Fe/Ni(111) system were investigated via combination of the density functional theory calculations and electron-spectroscopy methods. This system was prepared via intercalation of thin Fe layers (1 ML) underneath graphene on Ni(111) and its inert properties were verified by means of photoelectron spectroscopy. Intercalation of iron...
Investigations on a series of eight novel mononuclear iron(III) Schiff base complexes with the general formula [Fe(L(5))(L(1))]·S (where H(2)L(5) = pentadentate Schiff-base ligand, L(1) = a pseudohalido ligand, and S is a solvent molecule) are reported. Several different aromatic 2-hydroxyaldehyde derivatives were used in combination with a non-symmetrical triamine 1,6-diamino-4-azahexane to sy...
Bone drilling is an essential part of many orthopaedic surgery procedures, including those for internal fixation and for attaching prosthetics. Estimation and control of bone drilling forces are critical to prevent drill breakthrough, excessive heat generation, and mechanical damage to the bone. This paper presents a 3D finite element (FE) model for prediction of thrust forces experienced durin...
Ab initio computations within the density functional theory are reported for the spin cross-over complex, [Fe(btz)2(NCS)2], where 3d 6 FeII is characterized by High Spin (HS t2g, e 2 g) and Low Spin (LS t2g, e 0 g) states. Results of infra red and Raman spectra for the isolated molecule are complemented for the crystalline solid with a full account of the electronic band structure properties: t...
The reductive dissolution of Fe-oxide driven by organic matter oxidation is the primary mechanism accepted for As mobilization in several alluvial aquifers. These processes are often mediated by microorganisms that require a minimum Gibbs energy available to conduct the reaction in order to sustain their life functions. Implementing this threshold energy in reactive transport modeling is rarely...
We propose a self-consistent method for electronic structure calculations of correlated systems that combines the local density approximation (LSDA) and the dynamical mean field theory (DMFT). The LSDA part is based on the exact muffin-tin orbitals (EMTO) approach, meanwhile the DMFT uses a perturbation scheme that includes the T-matrix with fluctuation exchange (FLEX) approximation. The curren...
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