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X-ray Reflectivity
X-ray reflectivity (sometimes known as X-ray specular reflectivity, X-ray reflectometry, or XRR) is a surface-sensitive analytical technique used in chemistry, physics, and materials science to characterize surfaces, thin films and multilayers.J. Als-Nielsen, D. McMorrow, ''Elements of Modern X-Ray Physics'', Wiley, New York, (2001). It is a form of reflectometry based on the use of X-rays and is related to the techniques of neutron reflectometry and ellipsometry. The basic principle of X-ray reflectivity is to reflect a beam of X-rays from a flat surface and to then measure the intensity of X-rays reflected in the specular direction (reflected angle equal to incident angle). If the interface is not perfectly sharp and smooth then the reflected intensity will deviate from that predicted by the law of Fresnel reflectivity. The deviations can then be analyzed to obtain the density profile of the interface normal to the surface. History The earliest measurements of X-ray reflect ...
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Chemistry
Chemistry is the scientific study of the properties and behavior of matter. It is a physical science within the natural sciences that studies the chemical elements that make up matter and chemical compound, compounds made of atoms, molecules and ions: their composition, structure, properties, behavior and the changes they undergo during chemical reaction, reactions with other chemical substance, substances. Chemistry also addresses the nature of chemical bonds in chemical compounds. In the scope of its subject, chemistry occupies an intermediate position between physics and biology. It is sometimes called the central science because it provides a foundation for understanding both Basic research, basic and Applied science, applied scientific disciplines at a fundamental level. For example, chemistry explains aspects of plant growth (botany), the formation of igneous rocks (geology), how atmospheric ozone is formed and how environmental pollutants are degraded (ecology), the prop ...
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Fabry–Pérot Interferometer
In optics, a Fabry–Pérot interferometer (FPI) or etalon is an optical cavity made from two parallel reflecting surfaces (i.e.: thin mirrors). Optical waves can pass through the optical cavity only when they are in resonance with it. It is named after Charles Fabry and Alfred Perot, who developed the instrument in 1899. ''Etalon'' is from the French ''étalon'', meaning "measuring gauge" or "standard". Etalons are widely used in telecommunications, lasers and spectroscopy to control and measure the wavelengths of light. Recent advances in fabrication technique allow the creation of very precise tunable Fabry–Pérot interferometers. The device is technically an interferometer when the distance between the two surfaces (and with it the resonance length) can be changed, and an etalon when the distance is fixed (however, the two terms are often used interchangeably). Basic description The heart of the Fabry–Pérot interferometer is a pair of partially reflective glass ...
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Python Programming Language
Python is a high-level, general-purpose programming language. Its design philosophy emphasizes code readability with the use of significant indentation. Python is dynamically type-checked and garbage-collected. It supports multiple programming paradigms, including structured (particularly procedural), object-oriented and functional programming. It is often described as a "batteries included" language due to its comprehensive standard library. Guido van Rossum began working on Python in the late 1980s as a successor to the ABC programming language, and he first released it in 1991 as Python 0.9.0. Python 2.0 was released in 2000. Python 3.0, released in 2008, was a major revision not completely backward-compatible with earlier versions. Python 2.7.18, released in 2020, was the last release of Python 2. Python consistently ranks as one of the most popular programming languages, and it has gained widespread use in the machine learning commu ...
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Genetic Algorithm
In computer science and operations research, a genetic algorithm (GA) is a metaheuristic inspired by the process of natural selection that belongs to the larger class of evolutionary algorithms (EA). Genetic algorithms are commonly used to generate high-quality solutions to optimization and search problems via biologically inspired operators such as selection, crossover, and mutation. Some examples of GA applications include optimizing decision trees for better performance, solving sudoku puzzles, hyperparameter optimization, and causal inference. Methodology Optimization problems In a genetic algorithm, a population of candidate solutions (called individuals, creatures, organisms, or phenotypes) to an optimization problem is evolved toward better solutions. Each candidate solution has a set of properties (its chromosomes or genotype) which can be mutated and altered; traditionally, solutions are represented in binary as strings of 0s and 1s, but other encod ...
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Simulated Annealing
Simulated annealing (SA) is a probabilistic technique for approximating the global optimum of a given function. Specifically, it is a metaheuristic to approximate global optimization in a large search space for an optimization problem. For large numbers of local optima, SA can find the global optimum. It is often used when the search space is discrete (for example the traveling salesman problem, the boolean satisfiability problem, protein structure prediction, and job-shop scheduling). For problems where finding an approximate global optimum is more important than finding a precise local optimum in a fixed amount of time, simulated annealing may be preferable to exact algorithms such as gradient descent or branch and bound. The name of the algorithm comes from annealing in metallurgy, a technique involving heating and controlled cooling of a material to alter its physical properties. Both are attributes of the material that depend on their thermodynamic free energy ...
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Nelder–Mead Method
The Nelder–Mead method (also downhill simplex method, amoeba method, or polytope method) is a numerical method used to find the minimum or maximum of an objective function in a multidimensional space. It is a direct search method (based on function comparison) and is often applied to nonlinear optimization problems for which derivatives may not be known. However, the Nelder–Mead technique is a heuristic search method that can converge to non-stationary points * * (algorithm summary online). on problems that can be solved by alternative methods. * Yu, Wen Ci. 1979. "Positive basis and a class of direct search techniques". ''Scientia Sinica'' 'Zhongguo Kexue'' 53—68. * Yu, Wen Ci. 1979. "The convergent property of the simplex evolutionary technique". ''Scientia Sinica'' 'Zhongguo Kexue'' 69–77. * * The Nelder–Mead technique was proposed by John Nelder and Roger Mead in 1965, as a development of the method of Spendley et al. Overview The method uses th ...
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Levenberg–Marquardt Algorithm
In mathematics and computing, the Levenberg–Marquardt algorithm (LMA or just LM), also known as the damped least-squares (DLS) method, is used to solve non-linear least squares problems. These minimization problems arise especially in least squares curve fitting. The LMA interpolates between the Gauss–Newton algorithm (GNA) and the method of gradient descent. The LMA is more robust than the GNA, which means that in many cases it finds a solution even if it starts very far off the final minimum. For well-behaved functions and reasonable starting parameters, the LMA tends to be slower than the GNA. LMA can also be viewed as Gauss–Newton using a trust region approach. The algorithm was first published in 1944 by Kenneth Levenberg, while working at the Frankford Army Arsenal. It was rediscovered in 1963 by Donald Marquardt, who worked as a statistician at DuPont, and independently by Girard, Wynne and Morrison. The LMA is used in many software applications for solv ...
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Wavenumber
In the physical sciences, the wavenumber (or wave number), also known as repetency, is the spatial frequency of a wave. Ordinary wavenumber is defined as the number of wave cycles divided by length; it is a physical quantity with dimension of reciprocal length, expressed in SI units of cycles per metre or reciprocal metre (m−1). Angular wavenumber, defined as the wave phase divided by time, is a quantity with dimension of angle per length and SI units of radians per metre. They are analogous to temporal frequency, respectively the '' ordinary frequency'', defined as the number of wave cycles divided by time (in cycles per second or reciprocal seconds), and the ''angular frequency'', defined as the phase angle divided by time (in radians per second). In multidimensional systems, the wavenumber is the magnitude of the '' wave vector''. The space of wave vectors is called ''reciprocal space''. Wave numbers and wave vectors play an essential role in optics and the physics ...
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Fresnel Equations
The Fresnel equations (or Fresnel coefficients) describe the reflection and transmission of light (or electromagnetic radiation in general) when incident on an interface between different optical media. They were deduced by French engineer and physicist Augustin-Jean Fresnel () who was the first to understand that light is a transverse wave, when no one realized that the waves were electric and magnetic fields. For the first time, polarization could be understood quantitatively, as Fresnel's equations correctly predicted the differing behaviour of waves of the ''s'' and ''p'' polarizations incident upon a material interface. Overview When light strikes the interface between a medium with refractive index and a second medium with refractive index , both reflection and refraction of the light may occur. The Fresnel equations give the ratio of the ''reflected'' wave's electric field to the incident wave's electric field, and the ratio of the ''transmitted'' wave's electric f ...
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Abeles Matrix Formalism
The transfer-matrix method is a method used in optics and acoustics to analyze the propagation of electromagnetic or acoustic waves through a stratified medium; a stack of thin films. This is, for example, relevant for the design of anti-reflective coatings and dielectric mirrors. The reflection of light from a single interface between two media is described by the Fresnel equations. However, when there are multiple interfaces, such as in the figure, the reflections themselves are also partially transmitted and then partially reflected. Depending on the exact path length, these reflections can interfere destructively or constructively. The overall reflection of a layer structure is the sum of an infinite number of reflections. The transfer-matrix method is based on the fact that, according to Maxwell's equations, there are simple continuity conditions for the electric field across boundaries from one medium to the next. If the field is known at the beginning of a layer, the ...
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Atomic Form Factor
In physics, the atomic form factor, or atomic scattering factor, is a measure of the scattering amplitude of a wave by an isolated atom. The atomic form factor depends on the type of scattering, which in turn depends on the nature of the incident radiation, typically X-ray diffraction, X-ray, Electron diffraction, electron or Neutron diffraction, neutron. The common feature of all form factors is that they involve a Fourier transform of a spatial density distribution of the scattering object from space, real space to momentum space (also known as reciprocal space). For an object with spatial density distribution, \rho(\mathbf), the form factor, f(\mathbf), is defined as :f(\mathbf)=\int \rho(\mathbf) e^\mathrm^3\mathbf, where \rho(\mathbf) is the spatial density of the scatterer about its center of mass (\mathbf=0), and \mathbf is the momentum transfer. As a result of the nature of the Fourier transform, the broader the distribution of the scatterer \rho in real space \mathbf, t ...
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Atomic Number
The atomic number or nuclear charge number (symbol ''Z'') of a chemical element is the charge number of its atomic nucleus. For ordinary nuclei composed of protons and neutrons, this is equal to the proton number (''n''p) or the number of protons found in the nucleus of every atom of that element. The atomic number can be used to uniquely identify ordinary chemical elements. In an ordinary uncharged atom, the atomic number is also equal to the number of electrons. For an ordinary atom which contains protons, neutrons and electrons, the sum of the atomic number ''Z'' and the neutron number ''N'' gives the atom's atomic mass number ''A''. Since protons and neutrons have approximately the same mass (and the mass of the electrons is negligible for many purposes) and the mass defect of the nucleon binding is always small compared to the nucleon mass, the atomic mass of any atom, when expressed in daltons (making a quantity called the " relative isotopic mass"), is within 1% ...
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