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Atomic Displacement Parameter
In crystallography, thermal ellipsoids, more formally termed atomic displacement parameters or anisotropic displacement parameters, are ellipsoids used to indicate the magnitudes and directions of the thermal vibration of atoms in crystal structures. Since the vibrations are usually anisotropic (different magnitudes in different directions in space), an ellipsoid is a convenient way of visualising the vibration and therefore the symmetry and time averaged position of an atom in a crystal. Their theoretical framework was introduced by D. W. J. Cruickshank in 1956 and the concept was popularized through the program ORTEP (Oak Ridge Thermal-Ellipsoid Plot Program), first released in 1965. Thermal ellipsoids can be defined by a tensor In mathematics, a tensor is an algebraic object that describes a multilinear relationship between sets of algebraic objects associated with a vector space. Tensors may map between different objects such as vectors, scalars, and even other ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Crystallography
Crystallography is the branch of science devoted to the study of molecular and crystalline structure and properties. The word ''crystallography'' is derived from the Ancient Greek word (; "clear ice, rock-crystal"), and (; "to write"). In July 2012, the United Nations recognised the importance of the science of crystallography by proclaiming 2014 the International Year of Crystallography.UN announcement "International Year of Crystallography" iycr2014.org. 12 July 2012 Crystallography is a broad topic, and many of its subareas, such as X-ray crystallography, are themselves important scientific topics. Crystallography ranges from the fundamentals of crystal structure to the mathematics of Crystal system, crystal geometry, including those that are Aperiodic crystal, not periodic or quasi ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Ellipsoid
An ellipsoid is a surface that can be obtained from a sphere by deforming it by means of directional Scaling (geometry), scalings, or more generally, of an affine transformation. An ellipsoid is a quadric surface; that is, a Surface (mathematics), surface that may be defined as the zero set of a polynomial of degree two in three variables. Among quadric surfaces, an ellipsoid is characterized by either of the two following properties. Every planar Cross section (geometry), cross section is either an ellipse, or is empty, or is reduced to a single point (this explains the name, meaning "ellipse-like"). It is Bounded set, bounded, which means that it may be enclosed in a sufficiently large sphere. An ellipsoid has three pairwise perpendicular Rotational symmetry, axes of symmetry which intersect at a Central symmetry, center of symmetry, called the center of the ellipsoid. The line segments that are delimited on the axes of symmetry by the ellipsoid are called the ''principal ax ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Thermal Vibration
The term "thermal energy" is often used ambiguously in physics and engineering. It can denote several different physical concepts, including: * Internal energy: The energy contained within a body of matter or radiation, excluding the potential energy of the whole system. * Heat: Energy in transfer between a system and its surroundings by mechanisms other than thermodynamic work and transfer of matter. * The characteristic energy associated with a single microscopic degree of freedom, where denotes temperature and denotes the Boltzmann constant. Mark Zemansky (1970) has argued that the term "thermal energy" is best avoided due to its ambiguity. He suggests using more precise terms such as "internal energy" and "heat" to avoid confusion. The term is, however, used in some textbooks.For example: Relation between heat and internal energy In thermodynamics, heat is energy in transfer to or from a thermodynamic system by mechanisms other than thermodynamic work or transfer of ma ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Atom
Atoms are the basic particles of the chemical elements. An atom consists of a atomic nucleus, nucleus of protons and generally neutrons, surrounded by an electromagnetically bound swarm of electrons. The chemical elements are distinguished from each other by the number of protons that are in their atoms. For example, any atom that contains 11 protons is sodium, and any atom that contains 29 protons is copper. Atoms with the same number of protons but a different number of neutrons are called isotopes of the same element. Atoms are extremely small, typically around 100 picometers across. A human hair is about a million carbon atoms wide. Atoms are smaller than the shortest wavelength of visible light, which means humans cannot see atoms with conventional microscopes. They are so small that accurately predicting their behavior using classical physics is not possible due to quantum mechanics, quantum effects. More than 99.94% of an atom's mass is in the nucleus. Protons hav ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Crystal Structure
In crystallography, crystal structure is a description of ordered arrangement of atoms, ions, or molecules in a crystalline material. Ordered structures occur from intrinsic nature of constituent particles to form symmetric patterns that repeat along the principal directions of three-dimensional space in matter. The smallest group of particles in a material that constitutes this repeating pattern is the unit cell of the structure. The unit cell completely reflects the symmetry and structure of the entire crystal, which is built up by repetitive translation of the unit cell along its principal axes. The translation vectors define the nodes of the Bravais lattice. The lengths of principal axes/edges, of the unit cell and angles between them are lattice constants, also called ''lattice parameters'' or ''cell parameters''. The symmetry properties of a crystal are described by the concept of space groups. All possible symmetric arrangements of particles in three-dimensional space ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Anisotropic
Anisotropy () is the structural property of non-uniformity in different directions, as opposed to isotropy. An anisotropic object or pattern has properties that differ according to direction of measurement. For example, many materials exhibit very different physical property, physical or list of materials properties#Mechanical properties, mechanical properties when measured along different axes, e.g. absorbance, refractive index, electrical resistivity and conductivity, conductivity, and tensile strength. An example of anisotropy is light coming through a polarizer. Another is wood, which is easier to split along its wood grain, grain than across it because of the directional non-uniformity of the grain (the grain is the same in one direction, not all directions). Fields of interest Computer graphics In the field of computer graphics, an anisotropic surface changes in appearance as it rotates about its normal (geometry), geometric normal, as is the case with velvet. Anisotropic ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Durward William John Cruickshank
Durward William John Cruickshank (7 March 1924 – 13 July 2007), often known as D. W. J. Cruickshank, was a British crystallographer whose work transformed the precision of determining molecular structures from X-ray crystal structure analysis. He developed the theoretical framework for ''anisotropic displacement parameters'', also known as the thermal ellipsoid, for crystal structure determination in a series of papers published in 1956 in Acta Crystallographica. Early life and education Cruickshank was born in London on 7 March 1924, the son of William Durward Cruickshank and his wife Margaret Ombler Meek, both of whom were doctors. He was educated at St Lawrence College in Ramsgate, Kent. He studied engineering at Loughborough College (which became Loughborough University in 1966), receiving an external degree with first class honours from the University of London in 1944. From 1944 to 1946 he worked for the Admiralty in the Special Operations Executive (SOE) on nava ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Tensor
In mathematics, a tensor is an algebraic object that describes a multilinear relationship between sets of algebraic objects associated with a vector space. Tensors may map between different objects such as vectors, scalars, and even other tensors. There are many types of tensors, including scalars and vectors (which are the simplest tensors), dual vectors, multilinear maps between vector spaces, and even some operations such as the dot product. Tensors are defined independent of any basis, although they are often referred to by their components in a basis related to a particular coordinate system; those components form an array, which can be thought of as a high-dimensional matrix. Tensors have become important in physics because they provide a concise mathematical framework for formulating and solving physics problems in areas such as mechanics ( stress, elasticity, quantum mechanics, fluid mechanics, moment of inertia, ...), electrodynamics ( electromagnetic ten ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Cartesian Coordinate System
In geometry, a Cartesian coordinate system (, ) in a plane (geometry), plane is a coordinate system that specifies each point (geometry), point uniquely by a pair of real numbers called ''coordinates'', which are the positive and negative numbers, signed distances to the point from two fixed perpendicular oriented lines, called ''coordinate lines'', ''coordinate axes'' or just ''axes'' (plural of ''axis'') of the system. The point where the axes meet is called the ''Origin (mathematics), origin'' and has as coordinates. The axes direction (geometry), directions represent an orthogonal basis. The combination of origin and basis forms a coordinate frame called the Cartesian frame. Similarly, the position of any point in three-dimensional space can be specified by three ''Cartesian coordinates'', which are the signed distances from the point to three mutually perpendicular planes. More generally, Cartesian coordinates specify the point in an -dimensional Euclidean space for any di ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
