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Lennard–Jones Potential
In computational chemistry, molecular physics, and physical chemistry, the Lennard-Jones potential (also termed the LJ potential or 12-6 potential; named for John Lennard-Jones) is an intermolecular pair potential. Out of all the intermolecular potentials, the Lennard-Jones potential is probably the one that has been the most extensively studied. It is considered an archetype model for simple yet realistic intermolecular interactions. The Lennard-Jones potential is often used as a building block in molecular models (a.k.a. force fields) for more complex substances. Many studies of the idealized "Lennard-Jones substance" use the potential to understand the physical nature of matter. Overview The Lennard-Jones potential is a simple model that still manages to describe the essential features of interactions between simple atoms and molecules: Two interacting particles repel each other at very close distance, attract each other at moderate distance, and eventually stop interac ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Graph Of Lennard-Jones Potential
Graph may refer to: Mathematics *Graph (discrete mathematics), a structure made of vertices and edges **Graph theory, the study of such graphs and their properties *Graph (topology), a topological space resembling a graph in the sense of discrete mathematics *Graph of a function *Graph of a relation *Graph paper *Chart, a means of representing data (also called a graph) Computing *Graph (abstract data type), an abstract data type representing relations or connections *graph (Unix), Unix command-line utility *Conceptual graph, a model for knowledge representation and reasoning *Microsoft Graph, a Microsoft API developer platform that connects multiple services and devices Other uses *HMS Graph, HMS ''Graph'', a submarine of the UK Royal Navy See also *Complex network *Graf *Graff (other) *Graph database *Grapheme, in linguistics *Graphemics *Graphic (other) *-graphy (suffix from the Greek for "describe," "write" or "draw") *List of information graphics soft ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Pair Potential
In physics, a pair potential is a function that describes the potential energy of two interacting objects solely as a function of the distance between them. Some interactions, like Coulomb's law in electrodynamics or Newton's law of universal gravitation in mechanics naturally have this form for simple spherical objects. For other types of more complex interactions or objects it is useful and common to approximate the interaction by a pair potential, for example interatomic potentials in physics and computational chemistry that use approximations like the Lennard-Jones and Morse potentials. Functional form The total energy of a system of N objects at positions \vec_i, that interact through pair potential v is given by E=\frac12\sum_^N\sum_^Nv\left(\left, \vec_i - \vec_j\\right)\ . Equivalently, this can be expressed as E=\sum_^N\sum_^Nv\left(\left, \vec_i - \vec_j\\right)\ . This expression uses the fact that interaction is symmetric between particles i and j. It also ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Stockmayer Potential
The Stockmayer potential is a mathematical model for representing the interactions between pairs of atoms or molecules. It is defined as a Lennard-Jones potential with a point electric dipole moment The electric dipole moment is a measure of the separation of positive and negative electrical charges within a system: that is, a measure of the system's overall Chemical polarity, polarity. The International System of Units, SI unit for electric .... A Stockmayer liquid consists of a collection of spheres with point dipoles embedded at the centre of each. These spheres interact both by Lennard-Jones and dipolar interactions. In the absence of the point dipoles, the spheres face no rotational friction and the translational dynamics of such LJ spheres have been studied in detail. This system, therefore, provides a simple model where the only source of rotational friction is dipolar interactions. The interaction potential may be written as V(r) = 4 \varepsilon_\left left(\frac\right ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Richard Buckingham
Richard Arthur Buckingham FBCS FRSA (17 July 1911 – 13 August 1994) was an English particle physicist, mathematician and computer scientist long on the staff of the University of London. He was also a Fellow of the British Computer Society and of the Royal Society of Arts and chaired the Technical Committee for Education (TC3) of the International Federation for Information Processing. He was also the originator of the Buckingham potential formula. Early life Buckingham was the son of George Herbert Buckingham, by his marriage to Alice Mary Watson King. He was educated at Gresham's School, Holt, and St John's College, Cambridge (BA 1935, PhD 1937). His thesis on "Some problems arising from the interactions of atoms with atoms, electrons and radiation" was done under Ralph H. Fowler.'BUCKINGHAM, Prof. Richard Arthur', in ''Who Was Who'' (London: A & C Black)online editionby Oxford University Press, December 2012, accessed 18 January 2014 Career After Cambridge, Buckingh ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Speed Of Sound
The speed of sound is the distance travelled per unit of time by a sound wave as it propagates through an elasticity (solid mechanics), elastic medium. More simply, the speed of sound is how fast vibrations travel. At , the speed of sound in air is about , or in or one mile in . It depends strongly on temperature as well as the medium through which a sound wave is propagating. At , the speed of sound in dry air (sea level 14.7 psi) is about . The speed of sound in an ideal gas depends only on its temperature and composition. The speed has a weak dependence on frequency and pressure in dry air, deviating slightly from ideal behavior. In colloquial speech, ''speed of sound'' refers to the speed of sound waves in Earth's atmosphere, air. However, the speed of sound varies from substance to substance: typically, sound travels most slowly in gases, faster in liquids, and fastest in solids. For example, while sound travels at in air, it travels at in water (almost 4.3 times a ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Compressibility
In thermodynamics and fluid mechanics, the compressibility (also known as the coefficient of compressibility or, if the temperature is held constant, the isothermal compressibility) is a measure of the instantaneous relative volume change of a fluid or solid as a response to a pressure (or mean stress) change. In its simple form, the compressibility \kappa (denoted in some fields) may be expressed as :\beta =-\frac\frac, where is volume and is pressure. The choice to define compressibility as the negative of the fraction makes compressibility positive in the (usual) case that an increase in pressure induces a reduction in volume. The reciprocal of compressibility at fixed temperature is called the isothermal bulk modulus. Definition The specification above is incomplete, because for any object or system the magnitude of the compressibility depends strongly on whether the process is isentropic or isothermal. Accordingly, isothermal compressibility is defined: :\beta_T=-\ ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Thermodynamic Limit
In statistical mechanics, the thermodynamic limit or macroscopic limit, of a system is the Limit (mathematics), limit for a large number of particles (e.g., atoms or molecules) where the volume is taken to grow in proportion with the number of particles.S.J. Blundell and K.M. Blundell, "Concepts in Thermal Physics", Oxford University Press (2009) The thermodynamic limit is defined as the limit of a system with a large volume, with the particle density held fixed: : N \to \infty,\, V \to \infty,\, \frac N V =\text In this limit, macroscopic thermodynamics is valid. There, thermal fluctuations in global quantities are negligible, and all List of thermodynamic properties, thermodynamic quantities, such as pressure and energy, are simply functions of the thermodynamic variables, such as temperature and density. For example, for a large volume of gas, the fluctuations of the total internal energy are negligible and can be ignored, and the average internal energy can be predicted fro ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Observable
In physics, an observable is a physical property or physical quantity that can be measured. In classical mechanics, an observable is a real-valued "function" on the set of all possible system states, e.g., position and momentum. In quantum mechanics, an observable is an operator, or gauge, where the property of the quantum state can be determined by some sequence of operations. For example, these operations might involve submitting the system to various electromagnetic fields and eventually reading a value. Physically meaningful observables must also satisfy transformation laws that relate observations performed by different observers in different frames of reference. These transformation laws are automorphisms of the state space, that is bijective transformations that preserve certain mathematical properties of the space in question. Quantum mechanics In quantum mechanics, observables manifest as self-adjoint operators on a separable complex Hilbert space ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Fritz London
Fritz Wolfgang London (March 7, 1900 – March 30, 1954) was a German born physicist and professor at Duke University. His fundamental contributions to the theories of chemical bonding and of intermolecular forces (London dispersion forces) are today considered classic and are discussed in standard textbooks of physical chemistry. With his brother Heinz London, he made a significant contribution to understanding electromagnetic properties of superconductors with the London equations and was nominated for the Nobel Prize in Chemistry on five separate occasions. Biography London was born in Breslau, German Empire, Germany (now Wrocław, Poland) as the son of Franz London (1863-1917). Being a Jew, London lost his position at the Humboldt University of Berlin, University of Berlin after Hitler's Nazi Party passed the Law for the Restoration of the Professional Civil Service, 1933 racial laws. He took visiting positions in England and France, and emigrated to the United States in 1939, ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Quantum Mechanics
Quantum mechanics is the fundamental physical Scientific theory, theory that describes the behavior of matter and of light; its unusual characteristics typically occur at and below the scale of atoms. Reprinted, Addison-Wesley, 1989, It is the foundation of all quantum physics, which includes quantum chemistry, quantum field theory, quantum technology, and quantum information science. Quantum mechanics can describe many systems that classical physics cannot. Classical physics can describe many aspects of nature at an ordinary (macroscopic and Microscopic scale, (optical) microscopic) scale, but is not sufficient for describing them at very small submicroscopic (atomic and subatomic) scales. Classical mechanics can be derived from quantum mechanics as an approximation that is valid at ordinary scales. Quantum systems have Bound state, bound states that are Quantization (physics), quantized to Discrete mathematics, discrete values of energy, momentum, angular momentum, and ot ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Solid-state Physics
Solid-state physics is the study of rigid matter, or solids, through methods such as solid-state chemistry, quantum mechanics, crystallography, electromagnetism, and metallurgy. It is the largest branch of condensed matter physics. Solid-state physics studies how the large-scale properties of solid materials result from their atomic-scale properties. Thus, solid-state physics forms a theoretical basis of materials science. Along with solid-state chemistry, it also has direct applications in the technology of transistors and semiconductors. Background Solid materials are formed from densely packed atoms, which interact intensely. These interactions produce the mechanical (e.g. hardness and Elasticity (physics), elasticity), Heat conduction, thermal, Electrical conduction, electrical, Magnetism, magnetic and Crystal optics, optical properties of solids. Depending on the material involved and the conditions in which it was formed, the atoms may be arranged in a regular, geometric patt ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
