Brillouin-scattering study of the elastic constants of phenothiazine through the phase transition

Sartwell, J.; Eckhardt, Craig J.

doi:10.1103/physrevb.48.12438

Cited by 7 publications

(11 citation statements)

References 21 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Thee lastic behaviour of phenothiazine is extremely anisotropic: A L values are 4.04 (S-HF-3c), 3.60 (Sartwell and Eckhardt [114] )a nd 2.66 (Ecolivet et al [115] ). Figure 4 suggests that the S-HF-3c result is in better (albeit rather poor) agreement with the experimental tensors,b oth obtained by Brillouin scattering,t han they are with one another.…”

Section: Phenothiazinementioning

confidence: 99%

Quantifying Mechanical Properties of Molecular Crystals: A Critical Overview of Experimental Elastic Tensors

et al. 2021

View full text Add to dashboard Cite

This review presents a critical and comprehensive overview of current experimental measurements of complete elastic constant tensors for molecular crystals. For a large fraction of these molecular crystals, detailed comparisons are made with elastic tensors obtained using the corrected small basis set Hartree–Fock method S‐HF‐3c, and these are shown to be competitive with many of those obtained from more sophisticated density functional theory plus dispersion (DFT‐D) approaches. These detailed comparisons between S‐HF‐3c, experimental and DFT‐D computed tensors make use of a novel rotation‐invariant spherical harmonic description of the Young's modulus, and identify outliers among sets of independent experimental results. The result is a curated database of experimental elastic tensors for molecular crystals, which we hope will stimulate more extensive use of elastic tensor information—experimental and computational—in studies aimed at correlating mechanical properties of molecular crystals with their underlying crystal structure.

show abstract

Section: Phenothiazinementioning

confidence: 99%

Quantifying Mechanical Properties of Molecular Crystals: A Critical Overview of Experimental Elastic Tensors

et al. 2021

View full text Add to dashboard Cite

show abstract

“…Cleavage planes have been previously used to substantiate the presence of weak intermolecular forces. 38 A classic example of this association is seen in graphite. While hexagonal sheets of covalently bonded carbon act as an exaggeration of "intermolecular bonding" when compared to forces connecting separate sheets, the logic may be extended to van der Waals crystals.…”

Section: Physical Interpretationmentioning

confidence: 99%

“…While the relation of elastic constants and cleavage planes becomes less distinct for traditional molecular crystals, its application to systems such as anthracene and phenothiazine warrants its use here. 24,38 The observation of a ͑011͒ cleavage plane in ␤-HMX by Palmer and Field 40 suggests that the intermolecular forces in the bc * plane are weaker. This observation is supported by the lower C 22 and C 33 elastic constants compared to C 11 .…”

Section: Physical Interpretationmentioning

confidence: 99%

The elastic constants and related properties of β-HMX determined by Brillouin scattering

Stevens

Eckhardt

2005

The Journal of Chemical Physics

111

107

View full text Add to dashboard Cite

By scattering from a variety of acoustic phonons, a complete stiffness tensor has been determined for crystalline beta-HMX. The results are compared with recent experimental and theoretical determinations of the elastic constants and bulk modulus. Reasons for disagreement are discussed in terms of experimental limitations and anharmonic effects. The observed ordering of stiffness constants, C(11) (18.4 GPa), C(22) (14.4 GPa), and C(33) (12.4 GPa), is qualitatively associated with physical phenomena including cleavage planes, patterns in crystal growth, and molecular packing. This interpretation is further corroborated by the linear compressibilities plotted in three crystallographic planes. The Voigt-Reuss-Hill bulk and shear moduli were found to be 9.9 and 3.7 GPa, respectively. The elasticity of beta-HMX is also discussed in relation to proposed mechanisms for the initiation of detonation.

show abstract

“…30 In addition to these studies, Eckhardt and co-workers have presented the determination of the elastic tensor for the API, carbamazepine 65 (CBZ, an anti-convulsant), and the ferroelastic phenophiazine. 66 The studies of RDX, 29 HMX, 20 CL-20 22 and CBZ 65 all described a very similar experimental method in which a "Microspectroreflectometer" was used to examine the crystal's optical properties. This device, which is discussed in the most detail by Haycraft 22 measures the intensity of near-normal incidence specular reflections from a chosen crystal face.…”

Section: Contributions To Brillouin Spectroscopy In Orthorhombic and mentioning

confidence: 99%

Brillouin Spectroscopy and Nanoindentation of Organic Crystals

Rutherford¹,

Bolme²

2014

View full text Add to dashboard Cite

Brillouin-scattering study of the elastic constants of phenothiazine through the phase transition

Cited by 7 publications

References 21 publications

Quantifying Mechanical Properties of Molecular Crystals: A Critical Overview of Experimental Elastic Tensors

Quantifying Mechanical Properties of Molecular Crystals: A Critical Overview of Experimental Elastic Tensors

The elastic constants and related properties of β-HMX determined by Brillouin scattering

Brillouin Spectroscopy and Nanoindentation of Organic Crystals

Contact Info

Product

Resources

About