Search results for "lattice"
showing 10 items of 3278 documents
Mechanical properties of macroscopic magnetocrystals
2019
Abstract We studied experimentally and by numerical simulations the mechanical response of arrays of macroscopic magnetic spheres when an external stress is applied. First, the tensile strength of single chains and ribbons was analyzed. Then, simple cubic (cP), hexagonal (Hx) and hybrid (cP-Hx) structures, called here magnetocrystals , were assembled and subjected to tensile stress, bending stress and torsion until failure was reached. Atomistic crystalline structures are isotropic, but in the case of magnetocrystals, even when geometric isotropy is obeyed, dipolar magnetic interactions introduce a physical anisotropy which modifies, in a non-usual manner, the structures response to the kin…
A Computational Study on Crack Propagation in Bio-Inspired Lattices
2018
A computational preliminary study on the fracture behaviour of two kinds of finite-size bio-inspired lattice configurations is presented. The study draws inspiration from recent investigations aimed at increasing the fracture energy of some materials through small modifications of their microstructure. Nature provides several examples of strategies used to delay or arrest damage initiation and crack propagation. Striking examples are provided by the micro-architecture of several kinds of wood. In this study, the effects on crack propagations induced by architectural alterations inspired by the microstructure of wood are computationally investigated. In an age in which tight control of the m…
Improve the dielectric properties of PrSrNi0.8Mn0.2O4 compounds by longer mechanical milling
2018
Abstract Structural and dielectric properties of PrSrNi 0.8 Mn 0.2 O 4 ceramics elaborated by a rapid method combining mechanical milling and heat treatment were studied for the first time. The raw materials are milled at different times ( t mil = 0, 5, 10, 20 and 30 h) and annealed at 1300 °C for 8 h to produce a revealed PrSrNi 0.8 Mn 0.2 O 4 single phase, exhibiting tetragonal structure with space group I 4/ mmm . This result was confirmed by using the TEM/ED pattern for sample milled at 30 h using the [001] orientation. The corresponding lattice images show a well-ordered compound, indicating the absence of stacking faults and the growth of the crystallites. Giant dielectric response …
An investigation into the fracture behaviour of honeycombs with density gradients
2020
International audience; In this study we perform an experimental and computational investigation about the fracture behaviour of polymer honeycombs presenting gradients in terms of lattice density. Such lattice relative density variations are introduced with the aim of mimicking the micro-morphology encountered in some natural materials, such as several kinds of woods, which seems related to the ability of the corresponding macro-material to delay the propagation of fracture under certain conditions. Starting from the conclusions of previous computational analyses, we perform a few experimental tensile tests on ABS model honeycombs obtained by additive manufacturing, with the aim of getting…
Reducing the Schottky barrier height at the MoSe2/Mo(110) interface in thin-film solar cells: Insights from first-principles calculations
2016
Abstract We report on first-principles calculations of the properties of the MoSe2/Mo(110) interface. Due to mismatch between the lattice parameters of the two structures, different patterns can form at the interface. We have studied the formation energy and the band alignment of six patterns for the MoSe2 (0001)/Mo(110) interface and one pattern for the MoSe2 (11 2 0)/Mo(110) interface. The MoSe2 (11 2 0)/Mo(110) interface is more stable than the MoSe 2 (0001)/Mo(110) interface and in contrast to MoSe2 (0001)/Mo(110), no Schottky barrier forms at MoSe2 (11 2 0)/Mo(110). Doping with Na modifies the band alignment at the interfaces. The Schottky barrier height decreases, provided that a Na a…
Inelastic neutron scattering study of proton dynamics in Ca(OH)2 at 20 K
1995
Abstract Inelastic neutron scattering (INS) spectra of Ca(OH) 2 at 20 K are presented from 30 to 4000 cm −1 for a powder sample, from 30 to 12000 cm −1 for an oriented single-crystal. INS band splitting due to the lattice density-of-states is observed. Polarization effects reveal the orientation of atomic displacements for each mode and a new band assignment scheme is proposed. For the single-crystal, the v OH mode and overtones are observed. This oscillator shows only moderate anharmonicity. Spectrum simulation reveals that INS spectral intensities are not consistent with simple normal coordinates and harmonic force-fields for Ca(OH) 2 entities. A new dynamical model is proposed, including…
First moments of the nucleon generalized parton distributions from lattice QCD
2012
We report on our lattice calculations of the nucleon's generalized parton distributions (GPDs), concentrating on their first moments for the case of N_f=2. Due to recent progress on the numerical side we are able to present results for the generalized form factors at pion masses as low as 260 MeV. We perform a fit to one-loop covariant baryon chiral perturbation theory with encouraging results.
Nucleon mass and pion-nucleon sigma term from a chiral analysis of lattice QCD world data
2014
The chiral behavior of the nucleon mass is studied within the covariant SU(2) baryon chiral perturbation theory up to order p4. Lattice QCD data for the ensembles of 2 and 2 + 1 flavors are separately fitted, paying special attention to explicit Δ(1232) degrees of freedom, finite volume corrections and finite spacing effects. In the case of the 2 flavor ensemble, we fit simultaneously nucleon mass data together with new and updated data for the σπN term both in their dimensionless forms and determine a Sommer-scale of r0 = 0.493(23) fm. We obtain low-energy constants of natural size that are compatible with the rather linear pion-mass dependence observed in lattice QCD and report a prelimin…
NMR T1-Relaxation Measurements on Paramagnetic Organolanthanides: An Alternative Tool for Structure Determination in Solution
2005
1H NMR investigations were conducted on four paramagnetic organolanthanides, all bearing the tetraisopropylcyclopentadienyl ligand Cp4i (HC5iPr4) in order to verify whether or not interactions observed in the solid state are maintained in solution. In some cases variable-temperature experiments were necessary to enhance the resolution and determine the best conditions for the study. The 1D NMR spectrum could be interpreted in every case. Complementary 2D COSY experiments allowed the full attribution of the signals. T1 (1H) relaxation values were determined for all the paramagnetic complexes at the most suitable temperature, and compared with those of the diamagnetic KCp4i. The same tendency…
Variable Cooperative Interactions in the Pressure and Thermally Induced Multistep Spin Transition in a Two-Dimensional Iron(II) Coordination Polymer
2020
Two types of experiments conducted to investigate the effect of pressure on the spin crossover (SCO) properties of the 2D Fe(II) coordination polymer formulated {Fe[bipy(ttr)2]}n are reported, namely, (1) magnetic measurements performed at variable temperature and at fixed pressure and (2) visible spectroscopy at variable pressure and fixed temperature. The magnetic experiments carried out under a hydrostatic pressure constraint of 0.04, 0.08, and 0.8 GPa reveal a two-step spin transition behavior. The characteristic critical temperatures of the spin transition are shifted upward in temperature as pressure increases. The slope of the straight-line of the Tc vs P plot, dTc/dP, is 775 K/GPa a…