Structure refinement of amorphous Cd-As by analysis of partial radial distribution functions

The anomalous wide angle X-ray scattering technique was used to determine the partial structure factors and then the partial radial distribution functions for vacuum evaporated Cd—As amorphous films containing 41 and 74% at. As. The experiments were performed using synchrotron radiation tuned near the As and Cd absorption edges. The obtained structural information about the individual Cd—Cd, Cd—As and As—As correlations shows that As and Cd remain almost tetrahedrally coordinated and suggest a certain degree of chemical disorder of the investigated samples

Structure of Carbon Materials Explored by Local Transmission Electron Microscopy and Global Powder Diffraction Probes

Transmission electron microscopy and neutron or X-ray diffraction are powerful techniques available today for characterization of the structure of various carbon materials at nano and atomic levels. They provide complementary information but each one has advantages and limitations. Powder X-ray or neutron diffraction measurements provide structural information representative for the whole volume of a material under probe but features of singular nano-objects cannot be identified. Transmission electron microscopy, in turn, is able to probe single nanoscale objects. In this review, it is demonstrated how transmission electron microscopy and powder X-ray and neutron diffraction methods complement each other by providing consistent structural models for different types of carbons such as carbon blacks, glass-like carbons, graphene, nanotubes, nanodiamonds, and nanoonions

Structure, properties, and crystallization of Mg-Cu-Y-Zn bulk metallic glasses

The Mg60Cu30Y10 and Mg65Cu 20Y10Zn5 bulk metallic glasses in the form of a rod 2 mm in diameter were successfully prepared by the conventional Cu-mold casting method. The addition of Zn caused the decrease in the crystallization and melting temperatures in comparison with the Mg60Cu 30Y10 alloy. The crystallization and melting temperatures are crucial factors that influence the casting process. An increase in annealing temperature leads to structural changes by the formation of the crystalline phases and lowers the compressive strength. These results obtained for the Mg-based bulk metallic glasses (Mg-BMGs) are important for some practical reasons, in particular, for developing the fabrication process. It has been shown that minor addition of an alloying element can change glass-forming ability and strength of the Mg- BMGs

Ab initio study of electronic and magnetic structure and structural phase transition of (Fe 1-xMn x) 2P 1-yGe y alloys

The paper presents results of the ab initio electronic structure calculations performed for the (Fe0:5Mn0:5)2P0:67Ge0:33 alloy, a member of (Fe1xMnx)2P1yGey family of alloys showing a giant magnetocaloric e ffect. Calculations con rmed the strong relationship between the magnetic state and crystal structure of the alloy. To investigate the isostructural phase transition driven by external magnetic eld observed in (Fe0:9Mn1:1)P0:8Ge0:2 we utilized the xed spin moment approach. Total energy analysis con rmed the occurrence of isostructural phase transition

Thermodynamically controlled crystallization of glucose pentaacetates from amorphous phase

The α and β glucose pentaacetates are known sugar derivatives, which can be potentially used as stabilizers of amorphous phase of active ingredients of drugs (API). In the present work, crystallization behavior of equimolar mixture of α and β form in comparison to both pure anomers is revealed. It was shown that despite the same molecular interactions and similar molecular dynamics, crystallization from amorphous phase is significantly suppressed in equimolar mixture. Time dependent X-ray diffraction studies confirmed higher stability of the quenched amorphous equimolar mixture. Its tendency to crystallization is about 10 times lower than for pure anomers. Calorimetric studies revealed that the α and β anomers don't form solid solutions and have eutectic point for xα = 0.625. Suppressed crystallization tendency in the mixture is probably caused by the altered thermodynamics of the system. The factors such as difference of free energy between crystalline and amorphous state or altered configurational entropy are probably responsible for the inhibitory effect

Application of third generation synchrotron source to studies of noncrystalline materials : In-Se amorphous films

The local structure of vacuum evaporated In-Se amorphous films, containing 50, 60, and 66 at .% Se, was studied using differential anomalous X -ray scattering and extended X -ray absorption fine structure. Both intensity and absorption spectra were measured in the vicinity of the absorption K -edge of Se. The differential anomalous X -ray scattering data were converted to real space by the inverse Fourier transform yielding the differential radial distribution functions. The obtained results provide evidence for the presence of Se-In spatial correlations for In5 0 Se50 and Se-In and Se-Se correlations for In40 Se60 and In34 Se66 within the first coordination sphere

Angular distribution of N-doped carbon nanotubes in alumina membrane channels : A high-energy X-ray diffraction study

An alignment study of multi-wall N-doped carbon nanotubes prepared by a template pyrolytic carbon deposition method inside channels of an alumina membrane has been performed using high-energy X-ray diffraction on the ID15B beamline at the European Synchrotron Radiation Facility (ESRF, Grenoble). The two-dimensional diffraction pattern of the deposited carbon nanotubes, recorded directly, within the alumina membrane, using an image plate detector, exhibits two non-continuous arcs corresponding to the 002 graphitic reflection. The following values of the angle between the axis of the carbon nanotubes lying along the membrane channels and the incident beam were taken for five positions: 0±, 30±, 45±, 60± and 90±. The anisotropic scattering distribution of the two-dimensional patterns indicates an orientational alignment of the nanotubes. The one-dimensional intensity patterns obtained by scanning around the circumference of the (0 0 2) ring have allowed an estimation of the angular distribution of the nanotubes axes

Interplay between the static ordering and dynamical heterogeneities determining the dynamics of rotation and ordinary liquid phases in 1,6-anhydro-β-D-glucose

In this letter, we reported thorough the structural and molecular dynamics studies on 1,6-Anhydro-β-D-glucose, the second compound reported so far that is capable to form rotator and supercooled liquid phases. In contrast to the data presented for ethanol, temperature dependences of structural dynamics in both phases are very comparable. On the other hand, X ray measurements revealed unusually long range ordering/correlations between molecules in the ODIC (d â ‰ 95 Å) and supercooled phases (d â ‰ 30-40 Å) of this carbohydrate. Our consideration clearly demonstrated that the interplay between length scales of static range ordering and dynamical heterogeneities as well as internal molecular arrangement seem to be the key to understanding the molecular dynamics of different materials characterized by varying degree of disorder in the vicinity of the glass transition temperature

Supramolecular Structure of Phenyl Derivatives of Butanol Isomers

Wide-angle X-ray scattering patterns were recorded for a series of aliphatic butanol isomers (n-, iso-, sec-, tert-butanol) and their phenyl derivatives (4-phenyl-1-butanol, 2-methyl-3- phenyl-1-propanol, 4-phenyl-2-butanol, and 2-methyl-1-phenyl-2- propanol, respectively) to determine their atomic-scale structure with particular emphasis on the formation of supramolecular clusters. In addition, molecular dynamics simulations were carried out and yielded good agreement with experimental data. The combination of experimental and theoretical results allowed clarification of the origin of the pre-peak appearing at low scattering angles for the aliphatic butanols and its absence for their phenyl counterparts. It was demonstrated that the location of the hydroxyl group in the molecule of alkyl butanol, its geometry, and rigidity determine the morphology of the supramolecular clusters, while the addition of the aromatic moiety causes more disordered organization of molecules. The phenyl group significantly decreases the number of hydrogen bonds and size of the supramolecular clusters formed via the O−H···O scheme. The lower association ability of phenyl alcohols via H-bonds is additionally attenuated by the appearance of competing π−π configurations evidenced by the structural models

Evolution of glassy carbon under heat treatment : correlation structure-mechanical properties

In order to accommodate an increasing demand for glassy carbon products with tailored characteristics, one has to understand the origin of their structure-related properties. In this work, through the use of high-resolution transmission electron microscopy, Raman spectroscopy, and electron energy loss spectroscopy it has been demonstrated that the structure of glassy carbon at different stages of the carbonization process resembles the curvature observed in fragments of nanotubes, fullerenes, or nanoonions. The measured nanoindentation hardness and reduced Young’s modulus change as a function of the pyrolysis temperature from the range of 600–2500 °C and reach maximum values for carbon pyrolyzed at around 1000 °C. Essentially, the highest values of the mechanical parameters for glassy carbon manufactured at that temperature can be related to the greatest amount of non-planar sp2-hybridized carbon atoms involved in the formation of curved graphene-like layers. Such complex labyrinth- like structure with sp2-type bonding would be rigid and hard to break that explains the glassy carbon high strength and hardness