Crystallographic Fragment Screening
Crystallography is the experimental science of determining the arrangement of atoms in crystalline solids. Crystallography is a fundamental subject in the fields of materials science and solid-state physics ( condensed matter physics). The word "crystallography" is derived from the Greek word κρύσταλλος (''krystallos'') "clear ice, rock-crystal", with its meaning extending to all solids with some degree of transparency, and γράφειν (''graphein'') "to write". In July 2012, the United Nations recognised the importance of the science of crystallography by proclaiming that 2014 would be the International Year of Crystallography. denote a direction vector (in real space). * Coordinates in ''angle brackets'' or ''chevrons'' such as <100> denote a ''family'' of directions which are related by symmetry operations. In the cubic crystal system for example, would mean 00 10 01/nowiki> or the negative of any of those directions. * Miller indices in ''parentheses ... [...More Info...]       [...Related Items...]     OR:     [Wikipedia]   [Google]   [Baidu]   |
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Miller Index
Miller indices form a notation system in crystallography for lattice planes in crystal (Bravais) lattices. In particular, a family of lattice planes of a given (direct) Bravais lattice is determined by three integers ''h'', ''k'', and ''ℓ'', the ''Miller indices''. They are written (hkℓ), and denote the family of (parallel) lattice planes (of the given Bravais lattice) orthogonal to \mathbf_ = h\mathbf + k\mathbf + \ell\mathbf, where \mathbf are the basis or primitive translation vectors of the reciprocal lattice for the given Bravais lattice. (Note that the plane is not always orthogonal to the linear combination of direct or original lattice vectors h\mathbf + k\mathbf + \ell\mathbf because the direct lattice vectors need not be mutually orthogonal.) This is based on the fact that a reciprocal lattice vector \mathbf (the vector indicating a reciprocal lattice point from the reciprocal lattice origin) is the wavevector of a plane wave in the Fourier series of a spatial ... [...More Info...]       [...Related Items...]     OR:     [Wikipedia]   [Google]   [Baidu]   |
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Hydrogen
Hydrogen is the chemical element with the symbol H and atomic number 1. Hydrogen is the lightest element. At standard conditions hydrogen is a gas of diatomic molecules having the formula . It is colorless, odorless, tasteless, non-toxic, and highly combustible. Hydrogen is the most abundant chemical substance in the universe, constituting roughly 75% of all normal matter.However, most of the universe's mass is not in the form of baryons or chemical elements. See dark matter and dark energy. Stars such as the Sun are mainly composed of hydrogen in the plasma state. Most of the hydrogen on Earth exists in molecular forms such as water and organic compounds. For the most common isotope of hydrogen (symbol 1H) each atom has one proton, one electron, and no neutrons. In the early universe, the formation of protons, the nuclei of hydrogen, occurred during the first second after the Big Bang. The emergence of neutral hydrogen atoms throughout the universe occurred about 370,000 ... [...More Info...]       [...Related Items...]     OR:     [Wikipedia]   [Google]   [Baidu]   |
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Magnetic Field
A magnetic field is a vector field that describes the magnetic influence on moving electric charges, electric currents, and magnetic materials. A moving charge in a magnetic field experiences a force perpendicular to its own velocity and to the magnetic field. A permanent magnet's magnetic field pulls on ferromagnetic materials such as iron, and attracts or repels other magnets. In addition, a nonuniform magnetic field exerts minuscule forces on "nonmagnetic" materials by three other magnetic effects: paramagnetism, diamagnetism, and antiferromagnetism, although these forces are usually so small they can only be detected by laboratory equipment. Magnetic fields surround magnetized materials, and are created by electric currents such as those used in electromagnets, and by electric fields varying in time. Since both strength and direction of a magnetic field may vary with location, it is described mathematically by a function assigning a vector to each point of space, cal ... [...More Info...]       [...Related Items...]     OR:     [Wikipedia]   [Google]   [Baidu]   |
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Magnetic Moment
In electromagnetism, the magnetic moment is the magnetic strength and orientation of a magnet or other object that produces a magnetic field. Examples of objects that have magnetic moments include loops of electric current (such as electromagnets), permanent magnets, elementary particles (such as electrons), various molecules, and many astronomical objects (such as many planets, some moons, stars, etc). More precisely, the term ''magnetic moment'' normally refers to a system's magnetic dipole moment, the component of the magnetic moment that can be represented by an equivalent magnetic dipole: a magnetic north and south pole separated by a very small distance. The magnetic dipole component is sufficient for small enough magnets or for large enough distances. Higher-order terms (such as the magnetic quadrupole moment) may be needed in addition to the dipole moment for extended objects. The magnetic dipole moment of an object is readily defined in terms of the torque that the objec ... [...More Info...]       [...Related Items...]     OR:     [Wikipedia]   [Google]   [Baidu]   |
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Strong Nuclear Force
The strong interaction or strong force is a fundamental interaction that confines quarks into proton, neutron, and other hadron particles. The strong interaction also binds neutrons and protons to create atomic nuclei, where it is called the nuclear force. Most of the mass of a common proton or neutron is the result of the strong interaction energy; the individual quarks provide only about 1% of the mass of a proton. At the range of 10−15 m (slightly more than the radius of a nucleon), the strong force is approximately 100 times as strong as electromagnetism, 106 times as strong as the weak interaction, and 1038 times as strong as gravitation. The strong interaction is observable at two ranges and mediated by two force carriers. On a larger scale (of about 1 to 3 fm), it is the force (carried by mesons) that binds protons and neutrons (nucleons) together to form the nucleus of an atom. On the smaller scale (less than about 0.8 fm, the radius of a nucleon), it ... [...More Info...]       [...Related Items...]     OR:     [Wikipedia]   [Google]   [Baidu]   |
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Atomic Nuclei
The atomic nucleus is the small, dense region consisting of protons and neutrons at the center of an atom, discovered in 1911 by Ernest Rutherford based on the 1909 Geiger–Marsden gold foil experiment. After the discovery of the neutron in 1932, models for a nucleus composed of protons and neutrons were quickly developed by Dmitri Ivanenko and Werner Heisenberg. An atom is composed of a positively charged nucleus, with a cloud of negatively charged electrons surrounding it, bound together by electrostatic force. Almost all of the mass of an atom is located in the nucleus, with a very small contribution from the electron cloud. Protons and neutrons are bound together to form a nucleus by the nuclear force. The diameter of the nucleus is in the range of () for hydrogen (the diameter of a single proton) to about for uranium. These dimensions are much smaller than the diameter of the atom itself (nucleus + electron cloud), by a factor of about 26,634 (uranium atomic ... [...More Info...]       [...Related Items...]     OR:     [Wikipedia]   [Google]   [Baidu]   |
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Charge Density
In electromagnetism, charge density is the amount of electric charge per unit length, surface area, or volume. Volume charge density (symbolized by the Greek letter ρ) is the quantity of charge per unit volume, measured in the SI system in coulombs per cubic meter (C⋅m−3), at any point in a volume. Surface charge density (σ) is the quantity of charge per unit area, measured in coulombs per square meter (C⋅m−2), at any point on a surface charge distribution on a two dimensional surface. Linear charge density (λ) is the quantity of charge per unit length, measured in coulombs per meter (C⋅m−1), at any point on a line charge distribution. Charge density can be either positive or negative, since electric charge can be either positive or negative. Like mass density, charge density can vary with position. In classical electromagnetic theory charge density is idealized as a ''continuous'' scalar function of position \boldsymbol, like a fluid, and \rho(\boldsymbol ... [...More Info...]       [...Related Items...]     OR:     [Wikipedia]   [Google]   [Baidu]   |
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Charged Particle
In physics, a charged particle is a particle with an electric charge. It may be an ion, such as a molecule or atom with a surplus or deficit of electrons relative to protons. It can also be an electron or a proton, or another elementary particle, which are all believed to have the same charge (except antimatter). Another charged particle may be an atomic nucleus devoid of electrons, such as an alpha particle. A plasma is a collection of charged particles, atomic nuclei and separated electrons, but can also be a gas containing a significant proportion of charged particles. Charges are arbitrarily labeled as ''positive''(+) or ''negative''(-). Only the existence of two 'types' of charges is known, there isn't anything inherent about positive charges that makes them positive, and the same goes for the negative charge. Examples Positively charged particles * protons and atomic nuclei * positrons (antielectrons) * alpha particles * positive charged pions * cations Negatively c ... [...More Info...]       [...Related Items...]     OR:     [Wikipedia]   [Google]   [Baidu]   |
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Electron Diffraction
Electron diffraction refers to the bending of electron beams around atomic structures. This behaviour, typical for waves, is applicable to electrons due to the wave–particle duality stating that electrons behave as both particles and waves. Since the diffracted beams interfere, they generate diffraction patterns widely used for analysis of the objects which caused the diffraction. Therefore, electron diffraction can also refer to derived experimental techniques used for material characterization. This technique is similar to X-ray and neutron diffraction. Electron diffraction is most frequently used in solid state physics and chemistry to study crystalline, quasi-crystalline and amorphous materials using electron microscopes. In these instruments, electrons are accelerated by an electrostatic potential in order to gain energy and shorten their wavelength. With the wavelength sufficiently short, the atomic structure acts as a diffraction grating generating diffraction patte ... [...More Info...]       [...Related Items...]     OR:     [Wikipedia]   [Google]   [Baidu]   |
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Neutron Diffraction
Neutron diffraction or elastic neutron scattering is the application of neutron scattering to the determination of the atomic and/or magnetic structure of a material. A sample to be examined is placed in a beam of thermal or cold neutrons to obtain a diffraction pattern that provides information of the structure of the material. The technique is similar to X-ray diffraction but due to their different scattering properties, neutrons and X-rays provide complementary information: X-Rays are suited for superficial analysis, strong x-rays from synchrotron radiation are suited for shallow depths or thin specimens, while neutrons having high penetration depth are suited for bulk samples.Measurement of residual stress in materials using neutrons [...More Info...]       [...Related Items...]     OR:     [Wikipedia]   [Google]   [Baidu]   |
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Neutron
The neutron is a subatomic particle, symbol or , which has a neutral (not positive or negative) charge, and a mass slightly greater than that of a proton. Protons and neutrons constitute the nuclei of atoms. Since protons and neutrons behave similarly within the nucleus, and each has a mass of approximately one atomic mass unit, they are both referred to as nucleons. Their properties and interactions are described by nuclear physics. Protons and neutrons are not elementary particles; each is composed of three quarks. The chemical properties of an atom are mostly determined by the configuration of electrons that orbit the atom's heavy nucleus. The electron configuration is determined by the charge of the nucleus, which is determined by the number of protons, or atomic number. The number of neutrons is the neutron number. Neutrons do not affect the electron configuration, but the sum of atomic and neutron numbers is the mass of the nucleus. Atoms of a chemical element t ... [...More Info...]       [...Related Items...]     OR:     [Wikipedia]   [Google]   [Baidu]   |