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Modeling Of Polymer Crystals
Polymer crystals have different properties than simple atomic crystals. They possess high density and long range order. They do not possess isotropy, and therefore are anisotropic in nature, which means they show anisotropy and limited conformation space. However, just as atomic crystals have lattices, polymer crystals also exhibit a periodic structure called a lattice, which describes the repetition of the unit cells in the space. The simulation of polymer crystals is complex and not taken from only one state but from solid-state and fluid-state physics as well. Polymer crystals have unit cells that consist of tens of atoms, while the molecules themselves comprise 104 To 106 atoms. Computational methods There are two methods for the study of polymer crystals: 1) optimization methods and 2) sampling methods. Optimization methods have some advantages over the sampling method, such as the localization of crystals in phase space. Sampling methods generally cannot localize the crystals ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Polymer
A polymer (; Greek '' poly-'', "many" + ''-mer'', "part") is a substance or material consisting of very large molecules called macromolecules, composed of many repeating subunits. Due to their broad spectrum of properties, both synthetic and natural polymers play essential and ubiquitous roles in everyday life. Polymers range from familiar synthetic plastics such as polystyrene to natural biopolymers such as DNA and proteins that are fundamental to biological structure and function. Polymers, both natural and synthetic, are created via polymerization of many small molecules, known as monomers. Their consequently large molecular mass, relative to small molecule compounds, produces unique physical properties including toughness, high elasticity, viscoelasticity, and a tendency to form amorphous and semicrystalline structures rather than crystals. The term "polymer" derives from the Greek word πολύς (''polus'', meaning "many, much") and μέρος (''meros'' ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Wave Vector
In physics, a wave vector (or wavevector) is a vector used in describing a wave, with a typical unit being cycle per metre. It has a magnitude and direction. Its magnitude is the wavenumber of the wave (inversely proportional to the wavelength), and its direction is perpendicular to the wavefront. In isotropic media, this is also the direction of wave propagation. A closely related vector is the angular wave vector (or angular wavevector), with a typical unit being radian per metre. The wave vector and angular wave vector are related by a fixed constant of proportionality, 2π radians per cycle. It is common in several fields of physics to refer to the angular wave vector simply as the ''wave vector'', in contrast to, for example, crystallography. It is also common to use the symbol ''k'' for whichever is in use. In the context of special relativity, ''wave vector'' can refer to a four-vector, in which the (angular) wave vector and (angular) frequency are combined. Def ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Path Integrals In Polymer Science
A polymer is a macromolecule, composed of many similar or identical repeated subunits. Polymers are common in, but not limited to, organic media. They range from familiar synthetic plastics to natural biopolymers such as DNA and proteins. Their unique elongated molecular structure produces unique physical properties, including toughness, viscoelasticity, and a tendency to form glasses and semicrystalline structures. The modern concept of polymers as covalently bonded macromolecular structures was proposed in 1920 by Hermann Staudinger. One sub-field in the study of polymers is polymer physics. As a part of soft matter studies, Polymer physics concerns itself with the study of mechanical properties and focuses on the perspective of condensed matter physics. Because polymers are such large molecules, bordering on the macroscopic scale, their physical properties are usually too complicated for solving using deterministic methods. Therefore, statistical approaches are often implemen ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Crystallization Of Polymers
Crystallization of polymers is a process associated with partial alignment of their molecular chains. These chains fold together and form ordered regions called Lamella (materials), lamellae, which compose larger spheroidal structures named Spherulite (polymer physics), spherulites. Polymers can crystallize upon cooling from melting, mechanical stretching or solvent evaporation. Crystallization affects optical, mechanical, thermal and chemical properties of the polymer. The degree of crystallinity is estimated by different analytical methods and it typically ranges between 10 and 80%, with crystallized polymers often called "semi-crystalline". The properties of semi-crystalline polymers are determined not only by the degree of crystallinity, but also by the size and orientation of the molecular chains. Crystallization mechanisms Solidification from the melt Polymers are composed of long molecular chains which form irregular, entangled coils in the melt. Some polymers retain such ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Conductive Polymer
Conductive polymers or, more precisely, intrinsically conducting polymers (ICPs) are organic polymers that conduct electricity. Such compounds may have metallic conductivity or can be semiconductors. The biggest advantage of conductive polymers is their processability, mainly by dispersion. Conductive polymers are generally not thermoplastics, ''i.e.'', they are not thermoformable. But, like insulating polymers, they are organic materials. They can offer high electrical conductivity but do not show similar mechanical properties to other commercially available polymers. The electrical properties can be fine-tuned using the methods of organic synthesis and by advanced dispersion techniques. History Polyaniline was first described in the mid-19th century by Henry Letheby, who investigated the electrochemical and chemical oxidation products of aniline in acidic media. He noted that reduced form was colourless but the oxidized forms were deep blue. The first highly-conductive organ ... [...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 there are many subareas such as which are themselves large scientific topics. It spans science ranging from the fundamentals ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Liquid Crystal
Liquid crystal (LC) is a state of matter whose properties are between those of conventional liquids and those of solid crystals. For example, a liquid crystal may flow like a liquid, but its molecules may be oriented in a crystal-like way. There are many types of LC phases, which can be distinguished by their optical properties (such as textures). The contrasting textures arise due to molecules within one area of material ("domain") being oriented in the same direction but different areas having different orientations. LC materials may not always be in a LC state of matter (just as water may be ice or water vapor). Liquid crystals can be divided into 3 main types: * thermotropic, *lyotropic, and * metallotropic. Thermotropic and lyotropic liquid crystals consist mostly of organic molecules, although a few minerals are also known. Thermotropic LCs exhibit a phase transition into the LC phase as temperature changes. Lyotropic LCs exhibit phase transitions as a function of b ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Crystal System
In crystallography, a crystal system is a set of point groups (a group of geometric symmetries with at least one fixed point). A lattice system is a set of Bravais lattices. Space groups are classified into crystal systems according to their point groups, and into lattice systems according to their Bravais lattices. Crystal systems that have space groups assigned to a common lattice system are combined into a crystal family. The seven crystal systems are triclinic, monoclinic, orthorhombic, tetragonal, trigonal, hexagonal, and cubic. Informally, two crystals are in the same crystal system if they have similar symmetries (albeit there are many exceptions). Classifications Crystals can be classified in three ways: lattice systems, crystal systems and crystal families. The various classifications are often confused: in particular the trigonal crystal system is often confused with the rhombohedral lattice system, and the term "crystal system" is sometimes used to mean "latti ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Polymer Engineering
Polymer engineering is generally an engineering field that designs, analyses, and modifies polymer materials. Polymer engineering covers aspects of the petrochemical industry, polymerization, structure and characterization of polymers, properties of polymers, compounding and processing of polymers and description of major polymers, structure property relations and applications. History The word “polymer” was introduced by the Swedish chemist J. J. Berzelius. He considered, for example, benzene (C6H6) to be a polymer of ethyne (C2H2). Later, this definition underwent a subtle modification. The history of human use of polymers has been long since the mid-19th century, when it entered the chemical modification of natural polymers. In 1839, C. Goodyear has found a critical advance in the research of rubber vulcanization, which has turned natural rubber into a practical engineering material. In 1870, J. W. Hyatt uses camphor to plasticize nitrocellulose to make nitrocellulose plas ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Oscillation
Oscillation is the repetitive or periodic variation, typically in time, of some measure about a central value (often a point of equilibrium) or between two or more different states. Familiar examples of oscillation include a swinging pendulum and alternating current. Oscillations can be used in physics to approximate complex interactions, such as those between atoms. Oscillations occur not only in mechanical systems but also in dynamic systems in virtually every area of science: for example the beating of the human heart (for circulation), business cycles in economics, predator–prey population cycles in ecology, geothermal geysers in geology, vibration of strings in guitar and other string instruments, periodic firing of nerve cells in the brain, and the periodic swelling of Cepheid variable stars in astronomy. The term ''vibration'' is precisely used to describe a mechanical oscillation. Oscillation, especially rapid oscillation, may be an undesirable phenomenon in proc ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Molecular Dynamics
Molecular dynamics (MD) is a computer simulation method for analyzing the physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a fixed period of time, giving a view of the dynamic "evolution" of the system. In the most common version, the trajectories of atoms and molecules are determined by numerically solving Newton's equations of motion for a system of interacting particles, where forces between the particles and their potential energies are often calculated using interatomic potentials or molecular mechanical force fields. The method is applied mostly in chemical physics, materials science, and biophysics. Because molecular systems typically consist of a vast number of particles, it is impossible to determine the properties of such complex systems analytically; MD simulation circumvents this problem by using numerical methods. However, long MD simulations are mathematically ill-conditioned, generating cumulative errors in ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Crystal
A crystal or crystalline solid is a solid material whose constituents (such as atoms, molecules, or ions) are arranged in a highly ordered microscopic structure, forming a crystal lattice that extends in all directions. In addition, macroscopic single crystals are usually identifiable by their geometrical shape, consisting of flat faces with specific, characteristic orientations. The scientific study of crystals and crystal formation is known as crystallography. The process of crystal formation via mechanisms of crystal growth is called crystallization or solidification. The word ''crystal'' derives from the Ancient Greek word (), meaning both "ice" and "rock crystal", from (), "icy cold, frost". Examples of large crystals include snowflakes, diamonds, and table salt. Most inorganic solids are not crystals but polycrystals, i.e. many microscopic crystals fused together into a single solid. Polycrystals include most metals, rocks, ceramics, and ice. A third category of ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
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