Inelastic neutron scattering and lattice dynamics of minerals

Chaplot, S. L.; Choudhury, N.; Ghose, Subrata; Rao, Mala N.; Mittal, R.; Goel, Prabhatasree

doi:10.1127/0935-1221/2002/0014-0291

Cited by 75 publications

(71 citation statements)

References 199 publications

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“…Note that this ansatz is only an approximation, although very good for intermediate to large amplitudes as it will be shown below. When we substitute (15) in the equation of motion (14), nonlinearity generates multiple frequencies. The RWA approximation states that nonlinear contributions higher than second harmonics can be neglected.…”

Section: Supersonic Solitons and Kinksmentioning

confidence: 99%

Supersonic Kinks in Coulomb Lattices

Archilla

Kosevich

Jiménez

et al. 2013

Nonlinear Systems and Complexity

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Summary. There exist in nature examples of lattices of elements for which the interaction is repulsive, the elements are kept in place because different reasons, as border conditions, geometry (e.g., circular) and, certainly, the interaction with other elements in the system, which provides an external potential. A primer example are layered silicates as mica muscovite, where the potassium ions form a two dimensional lattice between silicate layers. We propose an extremely simplified model of this layer in order to isolate the properties of a repulsive lattice and study them. We find that they are extremely well suited for the propagation of supersonic kinks and multikinks. Theoretically, they may have as much energy and travel as fast as desired. This striking results suggest that the properties of repulsive lattices may be related with some yet not fully explained direct and indirect observations of lattice excitations in muscovite.

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Section: Supersonic Solitons and Kinksmentioning

confidence: 99%

Supersonic Kinks in Coulomb Lattices

Archilla

Kosevich

Jiménez

et al. 2013

Nonlinear Systems and Complexity

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“…Perhaps the most notable are specific heat, phase transitions, thermal expansion, thermal conductivity, melting, and so on. The macroscopic thermodynamic properties [1][2][3][4][5][6][7][8][9][10][11] are determined by microscopic crystalline and electronic structure and atomic vibrations, and these are determined by the nature of bonding between the atoms. In this book, we focus on the understanding and modeling of these microscopic and macroscopic properties and the experimental techniques [12][13][14][15][16][17][18][19][20][21] used in their investigation.…”

mentioning

confidence: 99%

“…The macroscopic thermodynamic properties [1][2][3][4][5][6][7][8][9][10][11] are determined by microscopic crystalline and electronic structure and atomic vibrations, and these are determined by the nature of bonding between the atoms. In this book, we focus on the understanding and modeling of these microscopic and macroscopic properties and the experimental techniques [12][13][14][15][16][17][18][19][20][21] used in their investigation.The modeling of the structure, dynamics, and various thermodynamic properties is done either by the first-principles quantum mechanical methods [6,7] or by the semiempirical methods [8][9][10][11] largely based on models of interatomic interactions. The former is computationally far more intensive; therefore, its application to complex structures has been more recent and somewhat limited because of the available computational resources.…”

mentioning

confidence: 99%

“…The modeling of the structure, dynamics, and various thermodynamic properties is done either by the first-principles quantum mechanical methods [6,7] or by the semiempirical methods [8][9][10][11] largely based on models of interatomic interactions. The former is computationally far more intensive; therefore, its application to complex structures has been more recent and somewhat limited because of the available computational resources.…”

mentioning

confidence: 99%

“…These spectroscopic techniques [12-17] generate a rich amount of complex data of all kinds of vibrational modes of various polarizations and symmetry. Theoretical lattice dynamical calculations [7][8][9][10] are necessary for optimal planning of the experiments and for the microscopic interpretation of complex experimental data. Macroscopic measurements of specific heat [18] and thermal expansion [19,20] and use of high-pressure, high-temperature devices [21] are also particularly important for thermodynamic investigations.…”

mentioning

confidence: 99%

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Thermodynamic Properties of Solids: Experiment and Modeling

Chaplot

Mittal

Choudhury

2010

Thermodynamic Properties of Solids

Self Cite

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While thinking of thermodynamic properties of solids, a wide variety of properties and phenomena come to mind. Perhaps the most notable are specific heat, phase transitions, thermal expansion, thermal conductivity, melting, and so on. The macroscopic thermodynamic properties [1][2][3][4][5][6][7][8][9][10][11] are determined by microscopic crystalline and electronic structure and atomic vibrations, and these are determined by the nature of bonding between the atoms. In this book, we focus on the understanding and modeling of these microscopic and macroscopic properties and the experimental techniques [12][13][14][15][16][17][18][19][20][21] used in their investigation.The modeling of the structure, dynamics, and various thermodynamic properties is done either by the first-principles quantum mechanical methods [6,7] or by the semiempirical methods [8][9][10][11] largely based on models of interatomic interactions. The former is computationally far more intensive; therefore, its application to complex structures has been more recent and somewhat limited because of the available computational resources. The latter has been more widely used. Both of these techniques are extensively covered in this book.On the experimental side, a variety of microscopic and macroscopic techniques are in use. The visible light, infrared and X-ray photons, and thermal neutrons are most widely used microscopic probes. These spectroscopic techniques [12-17] generate a rich amount of complex data of all kinds of vibrational modes of various polarizations and symmetry. Theoretical lattice dynamical calculations [7][8][9][10] are necessary for optimal planning of the experiments and for the microscopic interpretation of complex experimental data. Macroscopic measurements of specific heat [18] and thermal expansion [19,20] and use of high-pressure, high-temperature devices [21] are also particularly important for thermodynamic investigations. These experimental techniques and the interpretations of their results by theoretical techniques are presented in individual chapters.

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Neutron Scattering

Larese

2005

Encyclopedia of Inorganic Chemistry

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Neutron scattering, which includes diffraction (ND), inelastic (INS), quasi‐elastic (QENS), and transmission/absorption techniques, is one of the most direct ways to probe the microscopic structure, dynamics, and compositional distribution of bulk condensed matter. The properties of the neutron include: no charge; a mass, m n , equal to 1.675 × 10 −27 kg; and a magnetic moment, μ n , equal to 0.9662 × 10 −26 J T −1 . Although neutrons scatter weakly, but more or less uniformly, from the nucleus of most elements across the periodic table, there are several elements that scatter neutrons rather well. Neutrons are extremely good for investigating compounds bearing light elements, especially hydrogen, deuterium, carbon, and oxygen as well as magnetic compounds. A representative sample of the scattering properties of different nuclei (see Table 2) has been tabulated (including a graphic illustration). This is in stark contrast to X‐ray scattering, in which the principal interaction (and scattering) of the massless X‐ray photon is from the electron cloud; so the scattering amplitude increases with the atomic number. Hence, neutrons are a very versatile probe of condensed matter and have been used to characterize the atomic arrangement in crystalline and amorphous solids and liquids (magnetic materials in particular) via diffraction, lattice vibrations, molecular motion, and diffusion (both rotational and translational). Neutron beams with energies (1 meV–1 eV) and wavelengths (0.5–20 Å) are ideally suited for investigating condensed matter and can be produced in two ways. The first is from a reactor source, where a purposefully built, steady state or pulsed reactor produces neutrons as the result of nuclear fission. The second is the spallation source, where a steady or pulsed stream of energetic protons collides with a solid or liquid target; the resulting collision and thermalization process causes neutrons to be knocked out or spalled from the target. The energy and wavelength of these neutron beams can be adjusted using thermal moderators chosen to shift the peak in the energy distribution of the beam. Specially designed instrumentation that uses either crystal optics or time‐of‐flight (TOF) methods, is used to analyze the angular and energy distribution of the scattered neutrons as a result of the physical processes from the sample under study. This contribution will briefly review the production and instrumentation at both reactor and steady state sources. Because of the vast number of studies that have been performed using thermal neutrons, only a limited set of examples of how neutrons have been used to characterize crystal structure, dynamic modes in solids (phonons), diffusion and phase transformations of inorganic materials can be presented here. Finally, a brief introduction will be provided for the use of neutrons to investigate surface states of adsorbed species because, with the advent of new high intensity neutron sources and the production of nanometer scale materials with high surface to volume ratios, it is a topic that is undoubtedly going to receive significant attention in the near future.

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Inelastic neutron scattering and lattice dynamics of minerals

Cited by 75 publications

References 199 publications

Supersonic Kinks in Coulomb Lattices

Supersonic Kinks in Coulomb Lattices

Thermodynamic Properties of Solids: Experiment and Modeling

Neutron Scattering

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