Bond Fluctuation Model
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Bond Fluctuation Model
The BFM (bond fluctuation model or bond fluctuation method) is a lattice model for simulating the conformation and dynamics of polymer systems. There are two versions of the BFM used: The earlier version was first introduced by I. Carmesin and Kurt Kremer in 1988, and the later version by J. Scott Shaffer in 1994. Conversion between models is possible. Model Carmesin and Kremer version In this model the monomers are represented by cubes on a regular cubic lattice with each cube occupying eight lattice positions. Each lattice position can only be occupied by one monomer in order to model excluded volume. The monomers are connected by a bond vector, which is taken from a set of typically 108 allowed vectors. There are different definitions for this vector set. One example for a bond vector set is made up from the six base vectors below using permutation and sign variation of the three vector components in each direction: : \mathbf = \mathbf \left( \begin 2 \\ 0 \\ 0 \end \right) \ ...
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Lattice Model (physics)
In mathematical physics, a lattice model is a mathematical model of a physical system that is defined on a lattice, as opposed to a continuum, such as the continuum of space or spacetime. Lattice models originally occurred in the context of condensed matter physics, where the atoms of a crystal automatically form a lattice. Currently, lattice models are quite popular in theoretical physics, for many reasons. Some models are exactly solvable, and thus offer insight into physics beyond what can be learned from perturbation theory. Lattice models are also ideal for study by the methods of computational physics, as the discretization of any continuum model automatically turns it into a lattice model. The exact solution to many of these models (when they are solvable) includes the presence of solitons. Techniques for solving these include the inverse scattering transform and the method of Lax pairs, the Yang–Baxter equation and quantum groups. The solution of these models has given i ...
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Topology
In mathematics, topology (from the Greek language, Greek words , and ) is concerned with the properties of a mathematical object, geometric object that are preserved under Continuous function, continuous Deformation theory, deformations, such as Stretch factor, stretching, Twist (mathematics), twisting, crumpling, and bending; that is, without closing holes, opening holes, tearing, gluing, or passing through itself. A topological space is a set (mathematics), set endowed with a structure, called a ''Topology (structure), topology'', which allows defining continuous deformation of subspaces, and, more generally, all kinds of continuity (mathematics), continuity. Euclidean spaces, and, more generally, metric spaces are examples of a topological space, as any distance or metric defines a topology. The deformations that are considered in topology are homeomorphisms and homotopy, homotopies. A property that is invariant under such deformations is a topological property. Basic exampl ...
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Polymer Physics
Polymer physics is the field of physics that studies polymers, their fluctuations, mechanical properties, as well as the kinetics of reactions involving degradation and polymerisation of polymers and monomers respectively.P. Flory, ''Principles of Polymer Chemistry'', Cornell University Press, 1953. .Pierre Gilles De Gennes, ''Scaling Concepts in Polymer Physics'' CORNELL UNIVERSITY PRESS Ithaca and London, 1979M. Doi and S. F. Edwards, ''The Theory of Polymer Dynamics'' Oxford University Inc NY, 1986 While it focuses on the perspective of condensed matter physics, polymer physics is originally a branch of statistical physics. Polymer physics and polymer chemistry are also related with the field of polymer science, where this is considered the applicative part of polymers. Polymers are large molecules and thus are very complicated for solving using a deterministic method. Yet, statistical approaches can yield results and are often pertinent, since large polymers (i.e., polymers wit ...
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Germany
Germany,, officially the Federal Republic of Germany, is a country in Central Europe. It is the second most populous country in Europe after Russia, and the most populous member state of the European Union. Germany is situated between the Baltic and North seas to the north, and the Alps to the south; it covers an area of , with a population of almost 84 million within its 16 constituent states. Germany borders Denmark to the north, Poland and the Czech Republic to the east, Austria and Switzerland to the south, and France, Luxembourg, Belgium, and the Netherlands to the west. The nation's capital and most populous city is Berlin and its financial centre is Frankfurt; the largest urban area is the Ruhr. Various Germanic tribes have inhabited the northern parts of modern Germany since classical antiquity. A region named Germania was documented before AD 100. In 962, the Kingdom of Germany formed the bulk of the Holy Roman Empire. During the 16th ce ...
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Leibniz Institute Of Polymer Research Dresden
Gottfried Wilhelm (von) Leibniz . ( – 14 November 1716) was a German polymath active as a mathematician, philosopher, scientist and diplomat. He is one of the most prominent figures in both the history of philosophy and the history of mathematics. He wrote works on philosophy, theology, ethics, politics, law, history and philology. Leibniz also made major contributions to physics and technology, and anticipated notions that surfaced much later in probability theory, biology, medicine, geology, psychology, linguistics and computer science. In addition, he contributed to the field of library science: while serving as overseer of the Wolfenbüttel library in Germany, he devised a cataloging system that would have served as a guide for many of Europe's largest libraries. Leibniz's contributions to this vast array of subjects were scattered in various learned journals, in tens of thousands of letters and in unpublished manuscripts. He wrote in several languages, primarily in Latin, ...
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Java Applet
Java applets were small applications written in the Java programming language, or another programming language that compiles to Java bytecode, and delivered to users in the form of Java bytecode. The user launched the Java applet from a web page, and the applet was then executed within a Java virtual machine (JVM) in a process separate from the web browser itself. A Java applet could appear in a frame of the web page, a new application window, Sun's AppletViewer, or a stand-alone tool for testing applets. Java applets were introduced in the first version of the Java language, which was released in 1995. Beginning in 2013, major web browsers began to phase out support for the underlying technology applets used to run, with applets becoming completely unable to be run by 2015–2017. Java applets were deprecated by Java 9 in 2017. Java applets were usually written in Java, but other languages such as Jython, JRuby, Pascal, Scala, NetRexx, or Eiffel (via SmartEiff ...
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Metropolis–Hastings Algorithm
In statistics and statistical physics, the Metropolis–Hastings algorithm is a Markov chain Monte Carlo (MCMC) method for obtaining a sequence of random samples from a probability distribution from which direct sampling is difficult. This sequence can be used to approximate the distribution (e.g. to generate a histogram) or to compute an integral (e.g. an expected value). Metropolis–Hastings and other MCMC algorithms are generally used for sampling from multi-dimensional distributions, especially when the number of dimensions is high. For single-dimensional distributions, there are usually other methods (e.g. adaptive rejection sampling) that can directly return independent samples from the distribution, and these are free from the problem of autocorrelated samples that is inherent in MCMC methods. History The algorithm was named after Nicholas Metropolis and W.K. Hastings. Metropolis was the first author to appear on the list of authors of the 1953 article ''Equation of ...
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Monte Carlo Method
Monte Carlo methods, or Monte Carlo experiments, are a broad class of computational algorithms that rely on repeated random sampling to obtain numerical results. The underlying concept is to use randomness to solve problems that might be deterministic in principle. They are often used in physical and mathematical problems and are most useful when it is difficult or impossible to use other approaches. Monte Carlo methods are mainly used in three problem classes: optimization, numerical integration, and generating draws from a probability distribution. In physics-related problems, Monte Carlo methods are useful for simulating systems with many coupled degrees of freedom, such as fluids, disordered materials, strongly coupled solids, and cellular structures (see cellular Potts model, interacting particle systems, McKean–Vlasov processes, kinetic models of gases). Other examples include modeling phenomena with significant uncertainty in inputs such as the calculation of ris ...
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Permutation
In mathematics, a permutation of a set is, loosely speaking, an arrangement of its members into a sequence or linear order, or if the set is already ordered, a rearrangement of its elements. The word "permutation" also refers to the act or process of changing the linear order of an ordered set. Permutations differ from combinations, which are selections of some members of a set regardless of order. For example, written as tuples, there are six permutations of the set , namely (1, 2, 3), (1, 3, 2), (2, 1, 3), (2, 3, 1), (3, 1, 2), and (3, 2, 1). These are all the possible orderings of this three-element set. Anagrams of words whose letters are different are also permutations: the letters are already ordered in the original word, and the anagram is a reordering of the letters. The study of permutations of finite sets is an important topic in the fields of combinatorics and group theory. Permutations are used in almost every branch of mathematics, and in many other fields of scie ...
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Simulation
A simulation is the imitation of the operation of a real-world process or system over time. Simulations require the use of Conceptual model, models; the model represents the key characteristics or behaviors of the selected system or process, whereas the simulation represents the evolution of the model over time. Often, computers are used to execute the computer simulation, simulation. Simulation is used in many contexts, such as simulation of technology for performance tuning or optimizing, safety engineering, testing, training, education, and video games. Simulation is also used with scientific modelling of natural systems or human systems to gain insight into their functioning, as in economics. Simulation can be used to show the eventual real effects of alternative conditions and courses of action. Simulation is also used when the real system cannot be engaged, because it may not be accessible, or it may be dangerous or unacceptable to engage, or it is being designed bu ...
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Basis Vector
In mathematics, a set of vectors in a vector space is called a basis if every element of may be written in a unique way as a finite linear combination of elements of . The coefficients of this linear combination are referred to as components or coordinates of the vector with respect to . The elements of a basis are called . Equivalently, a set is a basis if its elements are linearly independent and every element of is a linear combination of elements of . In other words, a basis is a linearly independent spanning set. A vector space can have several bases; however all the bases have the same number of elements, called the ''dimension'' of the vector space. This article deals mainly with finite-dimensional vector spaces. However, many of the principles are also valid for infinite-dimensional vector spaces. Definition A basis of a vector space over a field (such as the real numbers or the complex numbers ) is a linearly independent subset of that spans . This mean ...
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Euclidean Vector
In mathematics, physics, and engineering, a Euclidean vector or simply a vector (sometimes called a geometric vector or spatial vector) is a geometric object that has magnitude (or length) and direction. Vectors can be added to other vectors according to vector algebra. A Euclidean vector is frequently represented by a '' directed line segment'', or graphically as an arrow connecting an ''initial point'' ''A'' with a ''terminal point'' ''B'', and denoted by \overrightarrow . A vector is what is needed to "carry" the point ''A'' to the point ''B''; the Latin word ''vector'' means "carrier". It was first used by 18th century astronomers investigating planetary revolution around the Sun. The magnitude of the vector is the distance between the two points, and the direction refers to the direction of displacement from ''A'' to ''B''. Many algebraic operations on real numbers such as addition, subtraction, multiplication, and negation have close analogues for vectors, operations whic ...
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