Pair Distribution Function
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Pair Distribution Function
The pair distribution function describes the distribution of distances between pairs of particles contained within a given volume. Mathematically, if ''a'' and ''b'' are two particles in a fluid, the pair distribution function of ''b'' with respect to ''a'', denoted by g_(\vec) is the probability of finding the particle ''b'' at distance \vec from ''a'', with ''a'' taken as the origin of coordinates. Overview The pair distribution function is used to describe the distribution of objects within a medium (for example, oranges in a crate or nitrogen molecules in a gas cylinder). If the medium is homogeneous (i.e. every spatial location has identical properties), then there is an equal probability density for finding an object at any position \vec: :p(\vec)=1/V, where V is the volume of the container. On the other hand, the likelihood of finding ''pairs of objects'' at given positions (i.e. the two-body probability density) is not uniform. For example, pairs of hard balls must be s ...
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Dirac Delta Function
In mathematics, the Dirac delta distribution ( distribution), also known as the unit impulse, is a generalized function or distribution over the real numbers, whose value is zero everywhere except at zero, and whose integral over the entire real line is equal to one. The current understanding of the unit impulse is as a linear functional that maps every continuous function (e.g., f(x)) to its value at zero of its domain (f(0)), or as the weak limit of a sequence of bump functions (e.g., \delta(x) = \lim_ \frace^), which are zero over most of the real line, with a tall spike at the origin. Bump functions are thus sometimes called "approximate" or "nascent" delta distributions. The delta function was introduced by physicist Paul Dirac as a tool for the normalization of state vectors. It also has uses in probability theory and signal processing. Its validity was disputed until Laurent Schwartz developed the theory of distributions where it is defined as a linear form acting on ...
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Radial Distribution Function
In statistical mechanics, the radial distribution function, (or pair correlation function) g(r) in a system of particles (atoms, molecules, colloids, etc.), describes how density varies as a function of distance from a reference particle. If a given particle is taken to be at the origin O, and if \rho =N/V is the average number density of particles, then the local time-averaged density at a distance r from O is \rho g(r). This simplified definition holds for a homogeneous and isotropic system. A more general case will be considered below. In simplest terms it is a measure of the probability of finding a particle at a distance of r away from a given reference particle, relative to that for an ideal gas. The general algorithm involves determining how many particles are within a distance of r and r+dr away from a particle. This general theme is depicted to the right, where the red particle is our reference particle, and blue particles are those whose centers are within the circul ...
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Light Scattering
Scattering is a term used in physics to describe a wide range of physical processes where moving particles or radiation of some form, such as light or sound, are forced to deviate from a straight trajectory by localized non-uniformities (including particles and radiation) in the medium through which they pass. In conventional use, this also includes deviation of reflected radiation from the angle predicted by the law of reflection. Reflections of radiation that undergo scattering are often called ''diffuse reflections'' and unscattered reflections are called ''specular'' (mirror-like) reflections. Originally, the term was confined to light scattering (going back at least as far as Isaac Newton in the 17th century). As more "ray"-like phenomena were discovered, the idea of scattering was extended to them, so that William Herschel could refer to the scattering of "heat rays" (not then recognized as electromagnetic in nature) in 1800. John Tyndall, a pioneer in light scattering resear ...
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X-ray Powder Diffraction
An X-ray, or, much less commonly, X-radiation, is a penetrating form of high-energy electromagnetic radiation. Most X-rays have a wavelength ranging from 10 picometers to 10 nanometers, corresponding to frequencies in the range 30  petahertz to 30  exahertz ( to ) and energies in the range 145  eV to 124 keV. X-ray wavelengths are shorter than those of UV rays and typically longer than those of gamma rays. In many languages, X-radiation is referred to as Röntgen radiation, after the German scientist Wilhelm Conrad Röntgen, who discovered it on November 8, 1895. He named it ''X-radiation'' to signify an unknown type of radiation.Novelline, Robert (1997). ''Squire's Fundamentals of Radiology''. Harvard University Press. 5th edition. . Spellings of ''X-ray(s)'' in English include the variants ''x-ray(s)'', ''xray(s)'', and ''X ray(s)''. The most familiar use of X-rays is checking for fractures (broken bones), but X-rays are also used in other ways. For ...
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Fourier Transform
A Fourier transform (FT) is a mathematical transform that decomposes functions into frequency components, which are represented by the output of the transform as a function of frequency. Most commonly functions of time or space are transformed, which will output a function depending on temporal frequency or spatial frequency respectively. That process is also called ''analysis''. An example application would be decomposing the waveform of a musical chord into terms of the intensity of its constituent pitches. The term ''Fourier transform'' refers to both the frequency domain representation and the mathematical operation that associates the frequency domain representation to a function of space or time. The Fourier transform of a function is a complex-valued function representing the complex sinusoids that comprise the original function. For each frequency, the magnitude (absolute value) of the complex value represents the amplitude of a constituent complex sinusoid with that ...
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Classical-map Hypernetted-chain Method
The classical-map hypernetted-chain method (CHNC method) is a method used in many-body theoretical physics for interacting uniform electron liquids in two and three dimensions, and for non-ideal plasmas. The method extends the famous hypernetted-chain method (HNC) introduced by J. M. J van Leeuwen et al. to quantum fluids as well. The classical HNC, together with the Percus–Yevick approximation, are the two pillars which bear the brunt of most calculations in the theory of interacting classical fluids. Also, HNC and PY have become important in providing basic reference schemes in the theory of fluids, and hence they are of great importance to the physics of many-particle systems. The HNC and PY integral equations provide the pair distribution functions of the particles in a classical fluid, even for very high coupling strengths. The coupling strength is measured by the ratio of the potential energy to the kinetic energy. In a classical fluid, the kinetic energy is proportional ...
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Statistical Mechanics
In physics, statistical mechanics is a mathematical framework that applies statistical methods and probability theory to large assemblies of microscopic entities. It does not assume or postulate any natural laws, but explains the macroscopic behavior of nature from the behavior of such ensembles. Statistical mechanics arose out of the development of classical thermodynamics, a field for which it was successful in explaining macroscopic physical properties—such as temperature, pressure, and heat capacity—in terms of microscopic parameters that fluctuate about average values and are characterized by probability distributions. This established the fields of statistical thermodynamics and statistical physics. The founding of the field of statistical mechanics is generally credited to three physicists: *Ludwig Boltzmann, who developed the fundamental interpretation of entropy in terms of a collection of microstates *James Clerk Maxwell, who developed models of probability distr ...
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