In mathematics, helical boundary conditions are a variation on periodic boundary conditions. Helical boundary conditions provide a method for determining the index of a lattice site's neighbours when each lattice site is indexed by just a single coordinate. On a lattice of dimension d where the lattice sites are numbered from 1 to N and L is the width (i.e. number of elements per row) of the lattice in all but the last dimension, the neighbors of site i are:
where the modulo operator is used. It is not necessary that N = Ld. Helical boundary conditions make it possible to use only one coordinate to describe arbitrary-dimensional lattices.
In geometry, a hypercube is an n-dimensional analogue of a square and a cube. It is a closed, compact, convex figure whose 1-skeleton consists of groups of opposite parallel line segments aligned in each of the space's dimensions, perpendicular to each other and of the same length. A unit hypercube's longest diagonal in n dimensions is equal to .
The quantum harmonic oscillator is the quantum-mechanical analog of the classical harmonic oscillator. Because an arbitrary smooth potential can usually be approximated as a harmonic potential at the vicinity of a stable equilibrium point, it is one of the most important model systems in quantum mechanics. Furthermore, it is one of the few quantum-mechanical systems for which an exact, analytical solution is known.
In physics, a phonon is a collective excitation in a periodic, elastic arrangement of atoms or molecules in condensed matter, specifically in solids and some liquids. A type of quasiparticle, a phonon is an excited state in the quantum mechanical quantization of the modes of vibrations for elastic structures of interacting particles. Phonons can be thought of as quantized sound waves, similar to photons as quantized light waves.
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.
In mathematics, a root system is a configuration of vectors in a Euclidean space satisfying certain geometrical properties. The concept is fundamental in the theory of Lie groups and Lie algebras, especially the classification and representation theory of semisimple Lie algebras. Since Lie groups and Lie algebras have become important in many parts of mathematics during the twentieth century, the apparently special nature of root systems belies the number of areas in which they are applied. Further, the classification scheme for root systems, by Dynkin diagrams, occurs in parts of mathematics with no overt connection to Lie theory. Finally, root systems are important for their own sake, as in spectral graph theory.
In mathematics, a modular form is a (complex) analytic function on the upper half-plane satisfying a certain kind of functional equation with respect to the group action of the modular group, and also satisfying a growth condition. The theory of modular forms therefore belongs to complex analysis but the main importance of the theory has traditionally been in its connections with number theory. Modular forms appear in other areas, such as algebraic topology, sphere packing, and string theory.
The Ising model, named after the physicists Ernst Ising and Wilhelm Lenz, is a mathematical model of ferromagnetism in statistical mechanics. The model consists of discrete variables that represent magnetic dipole moments of atomic "spins" that can be in one of two states. The spins are arranged in a graph, usually a lattice, allowing each spin to interact with its neighbors. Neighboring spins that agree have a lower energy than those that disagree; the system tends to the lowest energy but heat disturbs this tendency, thus creating the possibility of different structural phases. The model allows the identification of phase transitions as a simplified model of reality. The two-dimensional square-lattice Ising model is one of the simplest statistical models to show a phase transition.
In geometry and group theory, a lattice in the real coordinate space is an infinite set of points in this space with the properties that coordinatewise addition or subtraction of two points in the lattice produces another lattice point, that the lattice points are all separated by some minimum distance, and that every point in the space is within some maximum distance of a lattice point. Closure under addition and subtraction means that a lattice must be a subgroup of the additive group of the points in the space, and the requirements of minimum and maximum distance can be summarized by saying that a lattice is a Delone set. More abstractly, a lattice can be described as a free abelian group of dimension which spans the vector space . For any basis of , the subgroup of all linear combinations with integer coefficients of the basis vectors forms a lattice, and every lattice can be formed from a basis in this way. A lattice may be viewed as a regular tiling of a space by a primitive cell.
In quantum mechanics, the case of a particle in a one-dimensional ring is similar to the particle in a box. The Schrödinger equation for a free particle which is restricted to a ring is
The classical XY model is a lattice model of statistical mechanics. In general, the XY model can be seen as a specialization of Stanley's n-vector model for n = 2.
In mathematics, the discrete Laplace operator is an analog of the continuous Laplace operator, defined so that it has meaning on a graph or a discrete grid. For the case of a finite-dimensional graph, the discrete Laplace operator is more commonly called the Laplacian matrix.
The Hubbard model is an approximate model used to describe the transition between conducting and insulating systems. It is particularly useful in solid-state physics. The model is named for John Hubbard.
In mathematics, the E8 lattice is a special lattice in R8. It can be characterized as the unique positive-definite, even, unimodular lattice of rank 8. The name derives from the fact that it is the root lattice of the E8 root system.
Surface states are electronic states found at the surface of materials. They are formed due to the sharp transition from solid material that ends with a surface and are found only at the atom layers closest to the surface. The termination of a material with a surface leads to a change of the electronic band structure from the bulk material to the vacuum. In the weakened potential at the surface, new electronic states can be formed, so called surface states.
In statistical mechanics, the two-dimensional square lattice Ising model is a simple lattice model of interacting magnetic spins. The model is notable for having nontrivial interactions, yet having an analytical solution. The model was solved by Lars Onsager for the special case that the external magnetic field H = 0. An analytical solution for the general case for has yet to be found.
Periodic boundary conditions (PBCs) are a set of boundary conditions which are often chosen for approximating a large (infinite) system by using a small part called a unit cell. PBCs are often used in computer simulations and mathematical models. The topology of two-dimensional PBC is equal to that of a world map of some video games; the geometry of the unit cell satisfies perfect two-dimensional tiling, and when an object passes through one side of the unit cell, it re-appears on the opposite side with the same velocity. In topological terms, the space made by two-dimensional PBCs can be thought of as being mapped onto a torus (compactification). The large systems approximated by PBCs consist of an infinite number of unit cells. In computer simulations, one of these is the original simulation box, and others are copies called images. During the simulation, only the properties of the original simulation box need to be recorded and propagated. The minimum-image convention is a common form of PBC particle bookkeeping in which each individual particle in the simulation interacts with the closest image of the remaining particles in the system.
In mathematics, the Smith–Minkowski–Siegel mass formula is a formula for the sum of the weights of the lattices in a genus, weighted by the reciprocals of the orders of their automorphism groups. The mass formula is often given for integral quadratic forms, though it can be generalized to quadratic forms over any algebraic number field.
Iterative Stencil Loops (ISLs) are a class of numerical data processing solution which update array elements according to some fixed pattern, called a stencil. They are most commonly found in computer simulations, e.g. for computational fluid dynamics in the context of scientific and engineering applications. Other notable examples include solving partial differential equations, the Jacobi kernel, the Gauss–Seidel method, image processing and cellular automata. The regular structure of the arrays sets stencil techniques apart from other modeling methods such as the Finite element method. Most finite difference codes which operate on regular grids can be formulated as ISLs.
In statistical mechanics, the ice-type models or six-vertex models are a family of vertex models for crystal lattices with hydrogen bonds. The first such model was introduced by Linus Pauling in 1935 to account for the residual entropy of water ice. Variants have been proposed as models of certain ferroelectric and antiferroelectric crystals.
In computational and mathematical biology, a biological lattice-gas cellular automaton (BIO-LGCA) is a discrete model for moving and interacting biological agents, a type of cellular automaton. The BIO-LGCA is based on the lattice-gas cellular automaton (LGCA) model used in fluid dynamics. A BIO-LGCA model describes cells and other motile biological agents as point particles moving on a discrete lattice, thereby interacting with nearby particles. Contrary to classic cellular automaton models, particles in BIO-LGCA are defined by their position and velocity. This allows to model and analyze active fluids and collective migration mediated primarily through changes in momentum, rather than density. BIO-LGCA applications include cancer invasion and cancer progression.