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Polymer Field Theory
A polymer field theory is a statistical field theory describing the statistical behavior of a neutral or charged polymer system. It can be derived by transforming the partition function from its standard many-dimensional integral representation over the particle degrees of freedom in a functional integral representation over an auxiliary field function, using either the Hubbard–Stratonovich transformation or the delta-functional transformation. Computer simulations based on polymer field theories have been shown to deliver useful results, for example to calculate the structures and properties of polymer solutions (Baeurle 2007, Schmid 1998), polymer melts (Schmid 1998, Matsen 2002, Fredrickson 2002) and thermoplastics (Baeurle 2006). Canonical ensemble Particle representation of the canonical partition function The standard continuum model of flexible polymers, introduced by Edwards (Edwards 1965), treats a solution composed of n linear monodisperse homopolymers as a syst ...
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Statistical Field Theory
Statistics (from German: ''Statistik'', "description of a state, a country") is the discipline that concerns the collection, organization, analysis, interpretation, and presentation of data. In applying statistics to a scientific, industrial, or social problem, it is conventional to begin with a statistical population or a statistical model to be studied. Populations can be diverse groups of people or objects such as "all people living in a country" or "every atom composing a crystal". Statistics deals with every aspect of data, including the planning of data collection in terms of the design of surveys and experiments.Dodge, Y. (2006) ''The Oxford Dictionary of Statistical Terms'', Oxford University Press. When census data cannot be collected, statisticians collect data by developing specific experiment designs and survey samples. Representative sampling assures that inferences and conclusions can reasonably extend from the sample to the population as a whole. An experim ...
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Perturbation Theory
In mathematics and applied mathematics, perturbation theory comprises methods for finding an approximate solution to a problem, by starting from the exact solution of a related, simpler problem. A critical feature of the technique is a middle step that breaks the problem into "solvable" and "perturbative" parts. In perturbation theory, the solution is expressed as a power series in a small parameter The first term is the known solution to the solvable problem. Successive terms in the series at higher powers of \varepsilon usually become smaller. An approximate 'perturbation solution' is obtained by truncating the series, usually by keeping only the first two terms, the solution to the known problem and the 'first order' perturbation correction. Perturbation theory is used in a wide range of fields, and reaches its most sophisticated and advanced forms in quantum field theory. Perturbation theory (quantum mechanics) describes the use of this method in quantum mechanics. The ...
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Numerical Sign Problem
In applied mathematics, the numerical sign problem is the problem of numerically evaluating the integral of a highly oscillatory function of a large number of variables. Numerical methods fail because of the near-cancellation of the positive and negative contributions to the integral. Each has to be integrated to very high precision in order for their difference to be obtained with useful accuracy. The sign problem is one of the major unsolved problems in the physics of many-particle systems. It often arises in calculations of the properties of a quantum mechanical system with large number of strongly interacting fermions, or in field theories involving a non-zero density of strongly interacting fermions. Overview In physics the sign problem is typically (but not exclusively) encountered in calculations of the properties of a quantum mechanical system with large number of strongly interacting fermions, or in field theories involving a non-zero density of strongly interacting fermio ...
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Field-theoretic Simulation
A field-theoretic simulation is a numerical strategy to calculate structure and physical properties of a many-particle system within the framework of a statistical field theory, like e.g. a polymer field theory. A convenient possibility is to use Monte Carlo (MC) algorithms, to sample the full partition function integral expressed in field-theoretic representation. The procedure is then called the auxiliary field Monte Carlo method. However, it is well known that MC sampling in conjunction with the basic field-theoretic representation of the partition function integral, directly obtained via the Hubbard-Stratonovich transformation, is impracticable, due to the so-called numerical sign problem (Baeurle 2002, Fredrickson 2002). The difficulty is related to the complex and oscillatory nature of the resulting distribution function, which causes a bad statistical convergence of the ensemble averages of the desired structural and thermodynamic quantities. In such cases special analytica ...
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Monte Carlo
Monte Carlo (; ; french: Monte-Carlo , or colloquially ''Monte-Carl'' ; lij, Munte Carlu ; ) is officially an administrative area of the Principality of Monaco, specifically the ward of Monte Carlo/Spélugues, where the Monte Carlo Casino is located. Informally, the name also refers to a larger district, the Monte Carlo Quarter (corresponding to the former municipality of Monte Carlo), which besides Monte Carlo/Spélugues also includes the wards of La Rousse/Saint Roman, Larvotto/Bas Moulins and Saint Michel. The permanent population of the ward of Monte Carlo is about 3,500, while that of the quarter is about 15,000. Monaco has four traditional quarters. From west to east they are: Fontvieille (the newest), Monaco-Ville (the oldest), La Condamine, and Monte Carlo. Monte Carlo is situated on a prominent escarpment at the base of the Maritime Alps along the French Riviera. Near the quarter's western end is the "world-famous Place du Casino, the gambling center ... that has ...
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Self-interaction
Renormalization is a collection of techniques in quantum field theory, the statistical mechanics of fields, and the theory of self-similarity, self-similar geometric structures, that are used to treat infinity, infinities arising in calculated quantities by altering values of these quantities to compensate for effects of their self-interactions. But even if no infinities arose in One-loop Feynman diagram, loop diagrams in quantum field theory, it could be shown that it would be necessary to renormalize the mass and fields appearing in the original Lagrangian (field theory), Lagrangian. For example, an electron theory may begin by postulating an electron with an initial mass and charge. In quantum field theory a cloud of virtual particles, such as photons, positrons, and others surrounds and interacts with the initial electron. Accounting for the interactions of the surrounding particles (e.g. collisions at different energies) shows that the electron-system behaves as if it had ...
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Feynman Diagrams
In theoretical physics, a Feynman diagram is a pictorial representation of the mathematical expressions describing the behavior and interaction of subatomic particles. The scheme is named after American physicist Richard Feynman, who introduced the diagrams in 1948. The interaction of subatomic particles can be complex and difficult to understand; Feynman diagrams give a simple visualization of what would otherwise be an arcane and abstract formula. According to David Kaiser, "Since the middle of the 20th century, theoretical physicists have increasingly turned to this tool to help them undertake critical calculations. Feynman diagrams have revolutionized nearly every aspect of theoretical physics." While the diagrams are applied primarily to quantum field theory, they can also be used in other fields, such as solid-state theory. Frank Wilczek wrote that the calculations that won him the 2004 Nobel Prize in Physics "would have been literally unthinkable without Feynman diagram ...
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Excluded Volume
The concept of excluded volume was introduced by Werner Kuhn in 1934 and applied to polymer molecules shortly thereafter by Paul Flory. Excluded volume gives rise to depletion forces. In liquid state theory In liquid state theory, the 'excluded volume' of a molecule is the volume that is inaccessible to other molecules in the system as a result of the presence of the first molecule. The excluded volume of a hard sphere is eight times its volume—however, for a two-molecule system, this volume is distributed among the two particles, giving the conventional result of four times the volume; this is an important quantity in the Van der Waals equation of state. The calculation of the excluded volume for particles with non-spherical shapes is usually difficult, since it depends on the relative orientation of the particles. The distance of closest approach of hard ellipses and their excluded area has been recently considered. In polymer science In polymer science, excluded volume ...
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Random Walk
In mathematics, a random walk is a random process that describes a path that consists of a succession of random steps on some mathematical space. An elementary example of a random walk is the random walk on the integer number line \mathbb Z which starts at 0, and at each step moves +1 or −1 with equal probability. Other examples include the path traced by a molecule as it travels in a liquid or a gas (see Brownian motion), the search path of a foraging animal, or the price of a fluctuating stock and the financial status of a gambler. Random walks have applications to engineering and many scientific fields including ecology, psychology, computer science, physics, chemistry, biology, economics, and sociology. The term ''random walk'' was first introduced by Karl Pearson in 1905. Lattice random walk A popular random walk model is that of a random walk on a regular lattice, where at each step the location jumps to another site according to some probability distribution. In a ...
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Phase Transition
In chemistry, thermodynamics, and other related fields, a phase transition (or phase change) is the physical process of transition between one state of a medium and another. Commonly the term is used to refer to changes among the basic states of matter: solid, liquid, and gas, and in rare cases, plasma. A phase of a thermodynamic system and the states of matter have uniform physical properties. During a phase transition of a given medium, certain properties of the medium change as a result of the change of external conditions, such as temperature or pressure. This can be a discontinuous change; for example, a liquid may become gas upon heating to its boiling point, resulting in an abrupt change in volume. The identification of the external conditions at which a transformation occurs defines the phase transition point. Types of phase transition At the phase transition point for a substance, for instance the boiling point, the two phases involved - liquid and vapor, have identic ...
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Ferromagnetism
Ferromagnetism is a property of certain materials (such as iron) which results in a large observed magnetic permeability, and in many cases a large magnetic coercivity allowing the material to form a permanent magnet. Ferromagnetic materials are the familiar metals noticeably attracted to a magnet, a consequence of their large magnetic permeability. Magnetic permeability describes the induced magnetization of a material due to the presence of an ''external'' magnetic field, and it is this temporarily induced magnetization inside a steel plate, for instance, which accounts for its attraction to the permanent magnet. Whether or not that steel plate acquires a permanent magnetization itself, depends not only on the strength of the applied field, but on the so-called coercivity of that material, which varies greatly among ferromagnetic materials. In physics, several different types of material magnetism are distinguished. Ferromagnetism (along with the similar effect ferrimagnetis ...
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Critical Phenomena
In physics, critical phenomena is the collective name associated with the physics of critical points. Most of them stem from the divergence of the correlation length, but also the dynamics slows down. Critical phenomena include scaling relations among different quantities, power-law divergences of some quantities (such as the magnetic susceptibility in the ferromagnetic phase transition) described by critical exponents, universality, fractal behaviour, and ergodicity breaking. Critical phenomena take place in second order phase transitions, although not exclusively. The critical behavior is usually different from the mean-field approximation which is valid away from the phase transition, since the latter neglects correlations, which become increasingly important as the system approaches the critical point where the correlation length diverges. Many properties of the critical behavior of a system can be derived in the framework of the renormalization group. In order to expl ...
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