X-ray Reflectivity
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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 technique appears to have first been ap ...
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Chemistry
Chemistry is the science, scientific study of the properties and behavior of matter. It is a natural science that covers the Chemical element, elements that make up matter to the chemical compound, compounds made of atoms, molecules and ions: their composition, structure, properties, behavior and the changes they undergo during a Chemical reaction, reaction 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 properties ...
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IGOR Pro
IGOR Pro is a scientific data analysis software, numerical computing environment and programming language that runs on Windows or Mac operating systems. It is developed by WaveMetrics Inc., and was originally aimed at time series analysis, but has since then evolved and covers other applications such as curve fitting and image processing. It comes with a fully functional programming language and compiler, but many functions are also accessible through menus. IGOR Pro is primarily known for its graphics capabilities, and like Origin and other similar programs, is often used to generate plots for scientific and other publications. Other features include the possibility of extending the built-in functions with external operations (XOP) allowing data acquisition, manipulation and analysis features, communication with external devices and in principle any other task that can be programmed in C or C++. Features Igor Pro has several features that distinguish it from other graphin ...
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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-typed 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 first released it in 1991 as Python 0.9.0. Python 2.0 was released in 2000 and introduced new features such as list comprehensions, cycle-detecting garbage collection, reference counting, and Unicode support. Python 3.0, released in 2008, was a major revision that is not completely backward-compatible with earlier versions. Python 2 was discontinued with version 2.7.18 in 2020. Python consistently ran ...
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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 by relying on biologically inspired operators such as mutation, crossover and selection. Some examples of GA applications include optimizing decision trees for better performance, solving sudoku puzzles, hyperparameter optimization, etc. 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 encodings are also possible. ...
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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. 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. Heating and cooling the material affects both the temperature and the the ...
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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 the ...
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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 solving gen ...
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Wavenumber
In the physical sciences, the wavenumber (also wave number or repetency) is the ''spatial frequency'' of a wave, measured in cycles per unit distance (ordinary wavenumber) or radians per unit distance (angular wavenumber). It is analogous to temporal frequency, which is defined as the number of wave cycles per unit time (''ordinary frequency'') or radians per unit time (''angular frequency''). 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 of wave scattering, such as X-ray diffraction, neutron diffraction, electron diffraction, and elementary particle physics. For quantum mechanical waves, the wavenumber multiplied by the reduced Planck's constant is the ''canonical momentum''. Wavenumber can be used to specify quantities other than spatial frequency. For example, in optical spectroscopy, it is often used ...
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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 Augustin-Jean Fresnel () who was the first to understand that light is a transverse wave, even though no one realized that the "vibrations" of the wave 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 ''n''1 and a second medium with refractive index ''n''2, 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 electri ...
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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. 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 field at the end of the lay ...
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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, electron or 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 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, the narrower the distribution of f in \mathbf; i.e., the faster the dec ...
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