Desolvation induced crystal jumping: reversible hydration and dehydration of a spironolactone–saccharin cocrystal with water as the jumping-mate

CrystEngComm ◽  
2021 ◽  
Vol 23 (39) ◽  
pp. 6838-6842
Author(s):  
Yifu Chen ◽  
Bo Jing ◽  
Zewei Chang ◽  
Junbo Gong
Keyword(s):  
Molecular Conformation ◽  
Lattice Parameter ◽  
Reversible Hydration ◽  
Hydration And Dehydration

We present a spironolactone–saccharin cocrystal hydrate as the first example of a crystal that jumps without changes in either the lattice parameter or the molecular conformation to highlight the unique advantages of the jumping-mate strategy.

scholarly journals PASCal: a principal axis strain calculator for thermal expansion and compressibility determination

2012 ◽  
Vol 45 (6) ◽  
pp. 1321-1329 ◽  
Author(s):  
Matthew J. Cliffe ◽  
Andrew L. Goodwin
Keyword(s):  
Thermal Expansion ◽  
Lattice Parameter Data ◽  
Principal Axis ◽  
Molecular Conformation ◽  
Variable Temperature ◽  
Lattice Parameter ◽  
Mechanical Anisotropy ◽  
Variable Pressure ◽  
Coordination Polyhedra ◽  
Compressibility Effect

This article describes a web-based tool (PASCal; principal axis strain calculator; http://pascal.chem.ox.ac.uk) designed to simplify the determination of principal coefficients of thermal expansion and compressibilities from variable-temperature and variable-pressure lattice parameter data. In a series of three case studies,PASCalis used to reanalyse previously published lattice parameter data and show that additional scientific insight is obtainable in each case. First, the two-dimensional metal–organic framework [Cu2(OH)(C8H3O7S)(H2O)]·2H2O is found to exhibit the strongest area negative thermal expansion (NTE) effect yet observed; second, the widely used explosive HMX exhibits much stronger mechanical anisotropy than had previously been anticipated, including uniaxial NTE driven by thermal changes in molecular conformation; and third, the high-pressure form of the mineral malayaite is shown to exhibit a strong negative linear compressibility effect that arises from correlated tilting of SnO6and SiO4coordination polyhedra.

Coherency loss in γ' precipitates in nickel-base superalloy

1983 ◽  
Vol 41 ◽  
pp. 244-245
Author(s):  
R. A. Ricks ◽  
Angus J. Porter
Keyword(s):  
Lattice Mismatch ◽  
Lattice Parameter ◽  
Nickel Base Superalloy ◽  
Large Size ◽  
The Matrix ◽  
Nimonic 80A ◽  
Interfacial Dislocations ◽  
Nickel Base ◽  
Coherency Loss ◽  
Nimonic 115

During a recent investigation concerning the growth of γ' precipitates in nickel-base superalloys it was observed that the sign of the lattice mismatch between the coherent particles and the matrix (γ) was important in determining the ease with which matrix dislocations could be incorporated into the interface to relieve coherency strains. Thus alloys with a negative misfit (ie. the γ' lattice parameter was smaller than the matrix) could lose coherency easily and γ/γ' interfaces would exhibit regularly spaced networks of dislocations, as shown in figure 1 for the case of Nimonic 115 (misfit = -0.15%). In contrast, γ' particles in alloys with a positive misfit could grow to a large size and not show any such dislocation arrangements in the interface, thus indicating that coherency had not been lost. Figure 2 depicts a large γ' precipitate in Nimonic 80A (misfit = +0.32%) showing few interfacial dislocations.

Characterization of carbides in M50NiL

1991 ◽  
Vol 49 ◽  
pp. 606-607
Author(s):  
L. S. Lin ◽  
K. P. Gumz ◽  
A. V. Karg ◽  
C. C. Law
Keyword(s):  
Temperature Effects ◽  
Base Composition ◽  
Lattice Parameter ◽  
Control Surface ◽  
Carbide Formation ◽  
Particle Sizes ◽  
Low Carbon ◽  
Fee Structure ◽  
Heat Treated

Carbon and temperature effects on carbide formation in the carburized zone of M50NiL are of great importance because they can be used to control surface properties of bearings. A series of homogeneous alloys (with M50NiL as base composition) containing various levels of carbon in the range of 0.15% to 1.5% (in wt.%) and heat treated at temperatures between 650°C to 1100°C were selected for characterizations. Eleven samples were chosen for carbide characterization and chemical analysis and their identifications are listed in Table 1.Five different carbides consisting of M6C, M2C, M7C3 and M23C6 were found in all eleven samples examined as shown in Table 1. M6C carbides (with least carbon) were found to be the major carbide in low carbon alloys (<0.3% C) and their amounts decreased as the carbon content increased. In sample C (0.3% C), most particles (95%) encountered were M6C carbide with a particle sizes range between 0.05 to 0.25 um. The M6C carbide are enriched in both Mo and Fe and have a fee structure with lattice parameter a=1.105 nm (Figure 1).

Structure and Orientation of As Precipitates in LT-MBE Grown GaAs

1991 ◽  
Vol 49 ◽  
pp. 900-901 ◽  
Author(s):  
Alain Claverie ◽  
Zuzanna Liliental-Weber
Keyword(s):  
Transport Properties ◽  
Layer Thickness ◽  
Growth Temperature ◽  
Low Temperatures ◽  
Lattice Parameter ◽  
Crystalline Quality ◽  
Insulating Properties ◽  
Lt Gaas

GaAs layers grown by MBE at low temperatures (in the 200°C range, LT-GaAs) have been reported to have very interesting electronic and transport properties. Previous studies have shown that, before annealing, the crystalline quality of the layers is related to the growth temperature. Lowering the temperature or increasing the layer thickness generally results in some columnar polycrystalline growth. For the best “temperature-thickness” combinations, the layers may be very As rich (up to 1.25%) resulting in an up to 0.15% increase of the lattice parameter, consistent with the excess As. Only after annealing are the technologically important semi-insulating properties of these layers observed. When annealed in As atmosphere at about 600°C a decrease of the lattice parameter to the substrate value is observed. TEM studies show formation of precipitates which are supposed to be As related since the average As concentration remains almost unchanged upon annealing.

The usefulness of high index low symmetry zone axes for holz line analysis

1987 ◽  
Vol 45 ◽  
pp. 384-385
Author(s):  
C. M. Sung ◽  
D. B. Williams
Keyword(s):  
Lattice Parameter ◽  
High Order ◽  
Zone Axis ◽  
High Index ◽  
High Symmetry ◽  
Second Phases ◽  
Line Patterns ◽  
Low Symmetry ◽  
Line Analysis

Researchers have tended to use high symmetry zone axes (e.g. <111> <114>) for High Order Laue Zone (HOLZ) line analysis since Jones et al reported the origin of HOLZ lines and described some of their applications. But it is not always easy to find HOLZ lines from a specific high symmetry zone axis during microscope operation, especially from second phases on a scale of tens of nanometers. Therefore it would be very convenient if we can use HOLZ lines from low symmetry zone axes and simulate these patterns in order to measure lattice parameter changes through HOLZ line shifts. HOLZ patterns of high index low symmetry zone axes are shown in Fig. 1, which were obtained from pure Al at -186°C using a double tilt cooling holder. Their corresponding simulated HOLZ line patterns are shown along with ten other low symmetry orientations in Fig. 2. The simulations were based upon kinematical diffraction conditions.

Quasiperiodic interfaces: HREM observations of grain and phase boundaries

1990 ◽  
Vol 48 (4) ◽  
pp. 332-333
Author(s):  
K. L. Merkle
Keyword(s):  
Atomic Structure ◽  
Direct Determination ◽  
Lattice Parameter ◽  
Atomic Scale ◽  
Misfit Dislocations ◽  
Oxide Systems ◽  
Atomic Structures ◽  
Periodic Arrays ◽  
Parameter Ratio ◽  
Metal Metal

The atomic structures of internal interfaces have recently received considerable attention, not only because of their importance in determining many materials properties, but also because the atomic structure of many interfaces has become accessible to direct atomic-scale observation by modem HREM instruments. In this communication, several interface structures are examined by HREM in terms of their structural periodicities along the interface.It is well known that heterophase boundaries are generally formed by two low-index planes. Often, as is the case in many fcc metal/metal and metal/metal-oxide systems, low energy boundaries form in the cube-on-cube orientation on (111). Since the lattice parameter ratio between the two materials generally is not a rational number, such boundaries are incommensurate. Therefore, even though periodic arrays of misfit dislocations have been observed by TEM techniques for numerous heterophase systems, such interfaces are quasiperiodic on an atomic scale. Interfaces with misfit dislocations are semicoherent, where atomically well-matched regions alternate with regions of misfit. When the misfit is large, misfit localization is often difficult to detect, and direct determination of the atomic structure of the interface from HREM alone, may not be possible.

CBED analysis of impurity distributions in AlN

1990 ◽  
Vol 48 (4) ◽  
pp. 214-215
Author(s):  
Daniel Callahan ◽  
G. Thomas
Keyword(s):  
Aluminum Nitride ◽  
Bulk Material ◽  
Strong Dependence ◽  
Lattice Parameter ◽  
Promising Technique ◽  
Nitride Ceramics ◽  
Surface Phases ◽  
Convergent Beam ◽  
Oxygen Impurities

Oxygen impurities may significantly influence the properties of nitride ceramics with a strong dependence on the microstructural distribution of the impurity. For example, amorphous oxygen-rich grain boundary phases are well-known to cause high-temperature mechanical strength degradation in silicon nitride whereas solutionized oxygen is known to decrease the thermal conductivity of aluminum nitride. Microanalytical characterization of these impurities by spectral methods in the AEM is complicated by reactions which form oxygen-rich surface phases not representative of the bulk material. Furthermore, the impurity concentrations found in higher quality ceramics may be too low to measure by EDS or PEELS. Consequently an alternate method for the characterization of impurities in these ceramics has been investigated.Convergent beam electron diffraction (CBED) is a promising technique for the study of impurity distributions in aluminum nitride ceramics. Oxygen is known to enter into stoichiometric solutions with AIN with a consequent decrease in lattice parameter.

The limits of strain and lattice parameter measurements by CBED

1989 ◽  
Vol 47 ◽  
pp. 518-519
Author(s):  
Hamish L. Fraser
Keyword(s):  
Electron Beam ◽  
Mirror Symmetry ◽  
Local Symmetry ◽  
Lattice Parameter ◽  
Growth Direction ◽  
Surface Relaxation ◽  
Strained Layer ◽  
Axis Parallel ◽  
Local Lattice ◽  
Strained Layer Superlattice

The topic of strain and lattice parameter measurements using CBED is discussed by reference to several examples. In this paper, only one of these examples is referenced because of the limitation of length. In this technique, scattering in the higher order Laue zones is used to determine local lattice parameters. Work (e.g. 1) has concentrated on a model strained-layer superlattice, namely Si/Gex-Si1-x. In bulk samples, the strain is expected to be tetragonal in nature with the unique axis parallel to [100], the growth direction. When CBED patterns are recorded from the alloy epi-layers, the symmetries exhibited by the patterns are not tetragonal, but are in fact distorted from this to lower symmetries. The spatial variation of the distortion close to a strained-layer interface has been assessed. This is most readily noted by consideration of Fig. 1(a-c), which show enlargements of CBED patterns for various locations and compositions of Ge. Thus, Fig. 1(a) was obtained with the electron beam positioned in the center of a 5Ge epilayer and the distortion is consistent with an orthorhombic distortion. When the beam is situated at about 150 nm from the interface, the same part of the CBED pattern is shown in Fig. 1(b); clearly, the symmetry exhibited by the mirror planes in Fig. 1 is broken. Finally, when the electron beam is positioned in the center of a 10Ge epilayer, the CBED pattern yields the result shown in Fig. 1(c). In this case, the break in the mirror symmetry is independent of distance form the heterointerface, as might be expected from the increase in the mismatch between 5 and 10%Ge, i.e. 0.2 to 0.4%, respectively. From computer simulation, Fig.2, the apparent monocline distortion corresponding to the 5Ge epilayer is quantified as a100 = 0.5443 nm, a010 = 0.5429 nm and a001 = 0.5440 nm (all ± 0.0001 nm), and α = β = 90°, γ = 89.96 ± 0.02°. These local symmetry changes are most likely due to surface relaxation phenomena.

High-Temperature Instability of A Cr2Nb-Nb(Cr) Microlaminate Composite

1996 ◽  
Vol 54 ◽  
pp. 374-375
Author(s):  
M. Larsen ◽  
R.G. Rowe ◽  
D.W. Skelly
Keyword(s):  
Heat Treatment ◽  
Solid Solution ◽  
High Temperature ◽  
Elevated Temperatures ◽  
Aircraft Engine ◽  
Lattice Parameter ◽  
Microstructural Stability ◽  
Elevated Temperature Strength ◽  
Cross Sectional ◽  
Bcc Structure

Microlaminate composites consisting of alternating layers of a high temperature intermetallic compound for elevated temperature strength and a ductile refractory metal for toughening may have uses in aircraft engine turbines. Microstructural stability at elevated temperatures is a crucial requirement for these composites. A microlaminate composite consisting of alternating layers of Cr2Nb and Nb(Cr) was produced by vapor phase deposition. The stability of the layers at elevated temperatures was investigated by cross-sectional TEM.The as-deposited composite consists of layers of a Nb(Cr) solid solution with a composition in atomic percent of 91% Nb and 9% Cr. It has a bcc structure with highly elongated grains. Alternating with this Nb(Cr) layer is the Cr2Nb layer. However, this layer has deposited as a fine grain Cr(Nb) solid solution with a metastable bcc structure and a lattice parameter about half way between that of pure Nb and pure Cr. The atomic composition of this layer is 60% Cr and 40% Nb. The interface between the layers in the as-deposited condition appears very flat (figure 1). After a two hour, 1200 °C heat treatment, the metastable Cr(Nb) layer transforms to the Cr2Nb phase with the C15 cubic structure. Grain coarsening occurs in the Nb(Cr) layer and the interface between the layers roughen. The roughening of the interface is a prelude to an instability of the interface at higher heat treatment temperatures with perturbations of the Cr2Nb grains penetrating into the Nb(Cr) layer.

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