Search results for "Expansion"
showing 10 items of 630 documents
Resonance scattering in macromolecular structure research
2005
Resonance (or anomalous) X-ray scattering of partially ordered macromolecular structures, amorphous materials and solutions is encountered in the near edge region of X-ray absorption edges where the resonant real part f' of atomic form factors shows the strongest dispersion. The requirements of spectral brilliance in the near absorption edges can only be met by synchrotron radiation emitted from high energy electron (positron) storage rings. Resonance scattering yields three basic scattering functions. This compares to contrast variation in neutron scattering. The relations to isomorphous replacement methods of crystallography are discussed. The analysis of the basic scattering functions in…
Optical and Vibrational Spectra of CsCl-Enriched GeS2-Ga2S3 Glasses
2016
Optical and FTIR spectroscopy was employed to study the properties of 80GeS2-20Ga2S3-CsCl chalcohalide glasses with CsCl additives in a temperature range of 77–293 K. It is shown that CsCl content results in the shift of fundamental absorption edge in the visible region. Vibrational bands in FTIR spectra of (80GeS2-20Ga2S3)100 − х (СsCl) x (x = 5, 10, and 15) are identified near 2500 cm−1, 3700 cm−1,, around 1580 cm−1, and a feature at 1100 cm−1. Low energy shifts of vibrational frequencies in glasses with a higher amount of CsCl can be caused by possible thermal expansion of the lattice and nanovoid agglomeration formed by CsCl additives in the inner structure of the Ge-Ga-S glass.
Torsion oscillation magnetometry (TOM) of Fe films on Ni(111)/W(110) substrates
1999
Abstract Fe films 2–20 atomic monolayers (ML) thick have been deposited on Ni(1 1 1) films (4–60 ML) prepared on W(1 1 0) under UHV conditions. The Ni(1 1 1) films grow in a Nishijama–Wassermann orientation with a 3.6% lattice expansion along Ni[2 1 1] (‖ W[1 1 0]). On top of these slightly distorted Ni films iron is observed to grow preferentially in two mirror orientations. The saturation magnetization of these Fe films and the anisotropies of Fe/Ni bilayers have been studied using torsion oscillation magnetometry. The magnetization of the Fe films of 2.13 μB per atom is close to the bulk value of Fe. The out-of-plane surface (interface) anisotropy constant KFeNis=(−0.65±0.15) mJ/m2 of th…
EPR Study of Gd3+local structure in ScF3crystal with negative thermal expansion coefficient
2015
Zero field splitting (ZFS) of Gd3+ impurity in ScF3 is studied by electron paramagnetic resonance at 77 and 295 K. ZFS parameter b4 values obtained from angular dependence simulations show that regardless of negative thermal expansion in ScF3 temperature dependence of |b4| is similar to other cubic fluoroperovskites. Our analysis of ZFS parameters indicates that the local structure of Gd3+ centres expands positively with temperature.
On the dynamics of non-local fractional viscoelastic beams under stochastic agencies
2018
Abstract Non-local viscoelasticity is a subject of great interest in the context of non-local theories. In a recent study, the authors have proposed a non-local fractional beam model where non-local effects are represented as viscoelastic long-range volume forces and moments, exchanged by non-adjacent beam segments depending on their relative motion, while local effects are modelled by elastic classical stress resultants. Long-range interactions have been given a fractional constitutive law, involving the Caputo's fractional derivative. This paper introduces a comprehensive numerical approach to calculate the stochastic response of the non-local fractional beam model under Gaussian white no…
Cooling-rate effects in amorphous silica: A computer-simulation study
1996
Using molecular dynamics computer simulations we investigate how in silica the glass transition and the properties of the resulting glass depend on the cooling rate with which the sample is cooled. By coupling the system to a heat bath with temperature $T_b(t)$, we cool the system linearly in time, $T(t)=T_i-\gamma t$, where $\gamma$ is the cooling rate. We find that the glass transition temperature $T_g$ is in accordance with a logarithmic dependence on the cooling rate. In qualitative accordance with experiments, the density shows a local maximum, which becomes more pronounced with decreasing cooling rate. The enthalpy, density and the thermal expansion coefficient for the glass at zero t…
Mathematical modelling of the industrial growth of large silicon crystals by CZ and FZ process
2003
The present paper gives an overview of the complex mathematical modelling of industrial Czochralski (CZ) and floating‐zone (FZ) processes for the growth of large silicon single crystals from melt. Extensive numerical investigations of turbulent Si‐melt flows in large diameter CZ crucibles, global thermal calculations in growth facilities and analysis of the influence of various electromagnetic fields on CZ process are presented. For FZ process, a complex system of coupled 2D and 3D mathematical models is presented to show the possibilities of modelling from the calculation of the molten zone shape till the resistivity distribution in the grown crystal. A special developed program code is pr…
Ab initio molecular dynamics simulations of negative thermal expansion in ScF3: the effect of the supercell size
2020
The authors sincerely thank S. Ali, A. Kalinko, and F. Rocca for providing experimental EXAFS data, as well as M. Isupova, V. Kashcheyevs, and A. I. Popov for stimulating discussions. Financial support provided by project No. 1.1.1.2/VIAA/l/16/147 (1.1.1.2/16/I/001) under the activity “Post-doctoral research aid” realized at the Institute of Solid State Physics, University of Latvia is greatly acknowledged by D.B. A.K and J.P. would like to thank the support of the Latvian Council of Science project No. lzp-2018/2–0353.
Evaluation of a new Cr-free alloy as interconnect material for hydrogen production by high temperature water vapour electrolysis: Study in cathode at…
2012
International audience; For economic and ecological reasons, hydrogen is considered as a major energetic vector for the future. Hydrogen production via high temperature water vapour electrolysis (HTE) is a promising technology. A major technical difficulty related to high temperature water vapour electrolysis is the development of interconnects working efficiently for a long period. Working temperature of 800 degrees C enables the use of metallic materials as interconnects. High temperature corrosion behaviour and electrical conductivity of a new Cr-free Fe-Ni-Co alloy were tested in cathode atmosphere (H-2/H2O) at 800 degrees C. The alloy exhibits a poor oxidation resistance but an excelle…
Two new members of the Silica-X family of materials: RUB-5, a silica zeolite with a very high framework density and RUB-6, a hydrous layer silicate
2020
Abstract The new zeolite RUB-5 and the new phyllo silicate RUB-6 were synthesized at temperatures between 130 °C and 200 °C from reaction mixtures consisting of SiO2/LiOH/B(OH)3/OA/H2O or SiO2/KOH/OA/H2O (OA = organic additive). Physico-chemical characterization using solid-state NMR spectroscopy, SEM, TG-DTA, and ATR-FTIR spectroscopy confirmed that RUB-5 is a framework silicate while RUB-6 is a layer silicate. The XRD powder patterns were indexed in monoclinic symmetry (space group: C2) with lattice parameters of a0 = 10.2699 (4) A, b0 = 10.6556 (4) A, c0 = 18.1551 (7) A and β = 106.35 (1)° (RUB-5), and a0 = 10.1100 (43) A, b0 = 10.6956 (51) A, c0 = 20.5448 (44) A and β = 105.79 (1)° (RUB…