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Rietveld Refinement
Rietveld refinement is a technique described by Hugo Rietveld for use in the characterisation of crystalline materials. The neutron diffraction, neutron and x-ray crystallography, X-ray Powder diffraction, diffraction of powder samples results in a pattern characterised by reflections (peaks in intensity) at certain positions. The height, width and position of these reflections can be used to determine many aspects of the material's structure. The Rietveld method uses a least squares approach to refine a theoretical line profile until it matches the measured profile. The introduction of this technique was a significant step forward in the diffraction analysis of powder samples as, unlike other techniques at that time, it was able to deal reliably with strongly overlapping reflections. The method was first implemented in 1967, and reported in 1969 for the diffraction of monochromatic neutrons where the reflection-position is reported in terms of the Bragg's law, Bragg angle, 2''θ'' ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Hugo Rietveld
Hugo M. Rietveld (7 March 1932 – 16 July 2016) was a Dutch crystallography, crystallographer who is famous for his publication on the full profile refinement method in powder diffraction, which became later known as the Rietveld refinement method. The method is used for the characterisation of crystalline materials from X-ray powder diffraction data. The Rietveld refinement uses a least squares approach to refine a theoretical line profile (calculated from a known or postulated crystal structure) until it matches the measured profile. The introduction of this technique which used the full profile instead of individual reflections was a significant step forward in the diffraction analysis of powder samples. Biography Rietveld was born in the Hague. After completing Grammar School in the Netherlands he moved to Australia and studied physics at the University of Western Australia in Perth. In 1964 he obtained his Doctor of Philosophy, PhD degree under Edward Norman Maslen with a th ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Powder Diffraction
Powder diffraction is a scientific technique using X-ray, neutron, or electron diffraction on powder or microcrystalline samples for structural characterization of materials. An instrument dedicated to performing such powder measurements is called a powder diffractometer. Powder diffraction stands in contrast to single crystal diffraction techniques, which work best with a single, well-ordered crystal. Explanation A diffractometer produces electromagnetic radiation (waves) with known wavelength and frequency, which is determined by their source. The source is often x-rays, because they are the only kind of energy with the optimal wavelength for inter-atomic-scale diffraction. However, electrons and neutrons are also common sources, with their frequency determined by their de Broglie wavelength. When these waves reach the sample, the incoming beam is either reflected off the surface, or can enter the lattice and be diffracted by the atoms present in the sample. If the atoms ar ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Diffraction
Diffraction is defined as the interference or bending of waves around the corners of an obstacle or through an aperture into the region of geometrical shadow of the obstacle/aperture. The diffracting object or aperture effectively becomes a secondary source of the propagating wave. Italian scientist Francesco Maria Grimaldi coined the word ''diffraction'' and was the first to record accurate observations of the phenomenon in 1660. In classical physics, the diffraction phenomenon is described by the Huygens–Fresnel principle that treats each point in a propagating wavefront as a collection of individual spherical wavelets. The characteristic bending pattern is most pronounced when a wave from a coherent source (such as a laser) encounters a slit/aperture that is comparable in size to its wavelength, as shown in the inserted image. This is due to the addition, or interference, of different points on the wavefront (or, equivalently, each wavelet) that travel by paths of ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Crystallography
Crystallography is the experimental science of determining the arrangement of atoms in crystalline solids. Crystallography is a fundamental subject in the fields of materials science and solid-state physics (condensed matter physics). The word "crystallography" is derived from the Greek word κρύσταλλος (''krystallos'') "clear ice, rock-crystal", with its meaning extending to all solids with some degree of transparency, and γράφειν (''graphein'') "to write". In July 2012, the United Nations recognised the importance of the science of crystallography by proclaiming that 2014 would be the International Year of Crystallography. denote a direction vector (in real space). * Coordinates in ''angle brackets'' or ''chevrons'' such as <100> denote a ''family'' of directions which are related by symmetry operations. In the cubic crystal system for example, would mean 00 10 01/nowiki> or the negative of any of those directions. * Miller indices in ''parentheses ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Chebyshev Polynomial
The Chebyshev polynomials are two sequences of polynomials related to the cosine and sine functions, notated as T_n(x) and U_n(x). They can be defined in several equivalent ways, one of which starts with trigonometric functions: The Chebyshev polynomials of the first kind T_n are defined by : T_n(\cos \theta) = \cos(n\theta). Similarly, the Chebyshev polynomials of the second kind U_n are defined by : U_n(\cos \theta) \sin \theta = \sin\big((n + 1)\theta\big). That these expressions define polynomials in \cos\theta may not be obvious at first sight, but follows by rewriting \cos(n\theta) and \sin\big((n+1)\theta\big) using de Moivre's formula or by using the angle sum formulas for \cos and \sin repeatedly. For example, the double angle formulas, which follow directly from the angle sum formulas, may be used to obtain T_2(\cos\theta)=\cos(2\theta)=2\cos^2\theta-1 and U_1(\cos\theta)\sin\theta=\sin(2\theta)=2\cos\theta\sin\theta, which are respectively a polynomial in \cos\ ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Texture (crystalline)
In physical chemistry and materials science, texture is the distribution of crystallographic orientations of a polycrystalline sample (it is also part of the geological fabric). A sample in which these orientations are fully random is said to have no distinct texture. If the crystallographic orientations are not random, but have some preferred orientation, then the sample has a weak, moderate or strong texture. The degree is dependent on the percentage of crystals having the preferred orientation. Texture is seen in almost all engineered materials, and can have a great influence on materials properties. The texture forms in materials during thermo-mechanical processes, for example during production processes e.g. rolling. Consequently, the rolling process is often followed by a heat treatment to reduce the amount of unwanted texture. Controlling the production process in combination with the characterization of texture and the material's microstructure help to determine the materi ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Multiplicity (mathematics)
In mathematics, the multiplicity of a member of a multiset is the number of times it appears in the multiset. For example, the number of times a given polynomial has a root at a given point is the multiplicity of that root. The notion of multiplicity is important to be able to count correctly without specifying exceptions (for example, ''double roots'' counted twice). Hence the expression, "counted with multiplicity". If multiplicity is ignored, this may be emphasized by counting the number of ''distinct'' elements, as in "the number of distinct roots". However, whenever a set (as opposed to multiset) is formed, multiplicity is automatically ignored, without requiring use of the term "distinct". Multiplicity of a prime factor In prime factorization, the multiplicity of a prime factor is its p-adic valuation. For example, the prime factorization of the integer is : the multiplicity of the prime factor is , while the multiplicity of each of the prime factors and i ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Structure Factor
In condensed matter physics and crystallography, the static structure factor (or structure factor for short) is a mathematical description of how a material scatters incident radiation. The structure factor is a critical tool in the interpretation of scattering patterns (interference patterns) obtained in X-ray, electron and neutron diffraction experiments. Confusingly, there are two different mathematical expressions in use, both called 'structure factor'. One is usually written S(\mathbf); it is more generally valid, and relates the observed diffracted intensity per atom to that produced by a single scattering unit. The other is usually written F or F_ and is only valid for systems with long-range positional order — crystals. This expression relates the amplitude and phase of the beam diffracted by the (hk\ell) planes of the crystal ((hk\ell) are the Miller indices of the planes) to that produced by a single scattering unit at the vertices of the primitive unit cell. F_ is ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Momentum Transfer
In particle physics, wave mechanics and optics, momentum transfer is the amount of momentum that one particle gives to another particle. It is also called the scattering vector as it describes the transfer of wavevector in wave mechanics. In the simplest example of scattering of two colliding particles with initial momenta \vec_,\vec_, resulting in final momenta \vec_,\vec_, the momentum transfer is given by : \vec q = \vec_ - \vec_ = \vec_ - \vec_ where the last identity expresses momentum conservation. Momentum transfer is an important quantity because \Delta x = \hbar / , q, is a better measure for the typical distance resolution of the reaction than the momenta themselves. Wave mechanics and optics A wave has a momentum p = \hbar k and is a vectorial quantity. The difference of the momentum of the scattered wave to the incident wave is called ''momentum transfer''. The wave number k is the absolute of the wave vector k = p / \hbar and is related to the wavelength k = 2 ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Crystal
A crystal or crystalline solid is a solid material whose constituents (such as atoms, molecules, or ions) are arranged in a highly ordered microscopic structure, forming a crystal lattice that extends in all directions. In addition, macroscopic single crystals are usually identifiable by their geometrical shape, consisting of flat faces with specific, characteristic orientations. The scientific study of crystals and crystal formation is known as crystallography. The process of crystal formation via mechanisms of crystal growth is called crystallization or solidification. The word ''crystal'' derives from the Ancient Greek word (), meaning both " ice" and " rock crystal", from (), "icy cold, frost". Examples of large crystals include snowflakes, diamonds, and table salt. Most inorganic solids are not crystals but polycrystals, i.e. many microscopic crystals fused together into a single solid. Polycrystals include most metals, rocks, ceramics, and ice. A third ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Reciprocal Space
In physics, the reciprocal lattice represents the Fourier transform of another lattice (usually a Bravais lattice). In normal usage, the initial lattice (whose transform is represented by the reciprocal lattice) is usually a periodic spatial function in real-space and is also known as the ''direct lattice''. While the direct lattice exists in real-space and is what one would commonly understand as a physical lattice (e.g., a lattice of a crystal), the reciprocal lattice exists in reciprocal space (also known as '' momentum space'' or less commonly as ''K-space'', due to the relationship between the Pontryagin duals momentum and position). The reciprocal lattice of a reciprocal lattice is equivalent to the original direct lattice, because the defining equations are symmetrical with respect to the vectors in real and reciprocal space. Mathematically, direct and reciprocal lattice vectors represent covariant and contravariant vectors, respectively. The reciprocal lattice is the s ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Bragg's Law
In physics and chemistry , Bragg's law, Wulff–Bragg's condition or Laue–Bragg interference, a special case of Laue diffraction, gives the angles for coherent scattering of waves from a crystal lattice. It encompasses the superposition of wave fronts scattered by lattice planes, leading to a strict relation between wavelength and scattering angle, or else to the wavevector transfer with respect to the crystal lattice. Such law had initially been formulated for X-rays upon crystals. However, It applies to all sorts of quantum beams, including neutron and electron waves at atomic distances, as well as visible light at artificial periodic microscale lattices. History Bragg diffraction (also referred to as the Bragg formulation of X-ray diffraction) was first proposed by Lawrence Bragg and his father, William Henry Bragg, in 1913 in response to their discovery that crystalline solids produced surprising patterns of reflected X-rays (in contrast to that of, say, a liquid). The ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
