We report quantitative 3D coherent x-ray diffraction imaging of a molten Fe-rich alloy and crystalline olivine sample, synthesized at 6 GPa and 1800 °C, with nanoscale resolution. The 3D mass density map is determined and the 3D distribution of the Fe-rich and Fe-S phases in the olivine-Fe-S sample is observed. Our results indicate that the Fe-rich melt exhibits varied 3D shapes and sizes in th...

The photoelectron spectrum of Fe,can be simply interpreted in terms of electron detachment from the mildly antibonding 4.~0: orbital of a ( ~ S O ~ ) ~ ( ~ S C Y = ) ~ ( ~ ~ ) ~ ~ anion. configuration for the ground state of Fe,, correlating with one ground state (4s23d6) and one excited state (4s13d7) Fe atom. A comparison of the bond length and vibrational frequency of Fe, to values for trans...

In this study, dynamic behavior of safety mechanism of a mechanical controller is investigated using 3D-FE simulation. This paper is concentrated on controller of a high acceleration projectile. The controller is located in the top of the projectile. Safety mechanism is divided to deformable and rigid parts. Deformable and rigid parts are simulated in Abaqus and Adams commercial soft wares; res...

Detailed spectroscopic and computational studies of the low-spin iron complexes [Fe(III)(S2(Me2)N3 (Pr,Pr))(N3)] (1) and [Fe(III)(S2(Me2)N3 (Pr,Pr))]1+ (2) were performed to investigate the unique electronic features of these species and their relation to the low-spin ferric active sites of nitrile hydratases. Low-temperature UV/vis/NIR and MCD spectra of 1 and 2 reflect electronic structures t...

Although the exchange coupling and local crystal-field environment are almost identical in the two-dimensional (2D) and three-dimensional (3D) series of bimetallic oxalates, those two classes of materials exhibit quite different magnetic properties. Using mean-field theory to treat the exchange interaction, we evaluate the transition temperatures and magnetizations of the 3D Fe(II)Fe(III) and M...

Objective To establish a three-dimensional (3D) finite element (FE) model of ankylosing spondylitis (AS) kyphosis that is a digital platform for further studies. Methods A 30-year-old man with AS kyphosis underwent computed tomography transverse scanning from T1 to the sacrococcyx. The images were imported into Mimics® 17.0 software to establish a 3D model of the posterior spine, which was then...

this study aims to numerically investigate on the crashworthiness of thin-walled square tubes by consideration of 3-d oblique loading. in this type of loading, direction of loading is defined by using two spatial angles relative to the position of the tube. to this aim, finite element (fe) analysis is employed to simulate the loading for 8 different numerical models with different loading orien...

Based on the full-potential linearized augmented plane-wave method combined with the generalized gradient approximation, we determine the ground-state spin configurations and the total energies of 3d transitionmetal monolayer and bilayer films on Fe~001! within the c(232) unit cell. We find by energy analysis that V, Cr, and Mn layers prefer the layered antiferromagnetic coupling, and Fe, Co, a...

Rheological object, such as various food products and biological tissues, has both elastic and plastic properties. Modeling of rheological object has not been studied frequently comparing with the modeling of elastic one. Our previously developed FE models of rheological objects were based on triangular or tetrahedra finite elements. In this paper, the FE model of rheological object formulated ...

Gaseous Fe(4)S(n)(-) (n = 4-6) clusters and synthetic analogue complexes, Fe(4)S(4)L(n)(-) (L = Cl, Br, I; n = 1-4), were produced by laser vaporization of a solid Fe/S target and electrospray from solution samples, respectively, and their electronic structures were probed by photoelectron spectroscopy. Low binding energy features derived from minority-spin Fe 3d electrons were clearly distingu...