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In materials science, paracrystalline materials are defined as having short- and medium-range ordering in their lattice (similar to the liquid crystal phases) but lacking crystal-like long-range ordering at least in one direction. [1]
The words "paracrystallinity" and "paracrystal" were coined by the late Friedrich Rinne in the year 1933. [2] Their German equivalents, e.g. "Parakristall", appeared in print one year earlier. [3] A general theory of paracrystals has been formulated in a basic textbook, [4] and then further developed/refined by various authors.
Rolf Hosemann's definition of an ideal paracrystal is: "The electron density distribution of any material is equivalent to that of a paracrystal when there is for every building block one ideal point so that the distance statistics to other ideal points are identical for all of these points. The electron configuration of each building block around its ideal point is statistically independent of its counterpart in neighboring building blocks. A building block corresponds then to the material content of a cell of this "blurred" space lattice, which is to be considered a paracrystal." [5]
Ordering is the regularity in which atoms appear in a predictable lattice, as measured from one point. In a highly ordered, perfectly crystalline material, or single crystal, the location of every atom in the structure can be described exactly measuring out from a single origin. Conversely, in a disordered structure such as a liquid or amorphous solid, the location of the nearest and, perhaps, second-nearest neighbors can be described from an origin (with some degree of uncertainty) and the ability to predict locations decreases rapidly from there out. The distance at which atom locations can be predicted is referred to as the correlation length . A paracrystalline material exhibits a correlation somewhere between the fully amorphous and fully crystalline.
The primary, most accessible source of crystallinity information is X-ray diffraction and cryo-electron microscopy, [6] although other techniques may be needed to observe the complex structure of paracrystalline materials, such as fluctuation electron microscopy [7] in combination with density of states modeling [8] of electronic and vibrational states. Scanning transmission electron microscopy can provide real-space and reciprocal space characterization of paracrystallinity in nanoscale material, such as quantum dot solids. [9]
The scattering of X-rays, neutrons and electrons on paracrystals is quantitatively described by the theories of the ideal [10] and real [11] paracrystal.
Numerical differences in analyses of diffraction experiments on the basis of either of these two theories of paracrystallinity can often be neglected. [12]
Just like ideal crystals, ideal paracrystals extend theoretically to infinity. Real paracrystals, on the other hand, follow the empirical α*-law, [13] which restricts their size. That size is also indirectly proportional to the components of the tensor of the paracrystalline distortion. Larger solid state aggregates are then composed of micro-paracrystals. [14]
The paracrystal model has been useful, for example, in describing the state of partially amorphous semiconductor materials after deposition. It has also been successfully applied to synthetic polymers, liquid crystals, biopolymers, quantum dot solids, and biomembranes. [15]
In condensed matter physics and materials science, an amorphous solid is a solid that lacks the long-range order that is characteristic of a crystal. The terms "glass" and "glassy solid" are sometimes used synonymously with amorphous solid; however, these terms refer specifically to amorphous materials that undergo a glass transition. Examples of amorphous solids include glasses, metallic glasses, and certain types of plastics and polymers.
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 κρύσταλλος, and γράφειν. In July 2012, the United Nations recognised the importance of the science of crystallography by proclaiming 2014 the International Year of Crystallography.
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.
Transmission electron microscopy (TEM) is a microscopy technique in which a beam of electrons is transmitted through a specimen to form an image. The specimen is most often an ultrathin section less than 100 nm thick or a suspension on a grid. An image is formed from the interaction of the electrons with the sample as the beam is transmitted through the specimen. The image is then magnified and focused onto an imaging device, such as a fluorescent screen, a layer of photographic film, or a detector such as a scintillator attached to a charge-coupled device or a direct electron detector.
Electron diffraction is a generic term for phenomena associated with changes in the direction of electron beams due to elastic interactions with atoms. It occurs due to elastic scattering, when there is no change in the energy of the electrons. The negatively charged electrons are scattered due to Coulomb forces when they interact with both the positively charged atomic core and the negatively charged electrons around the atoms. The resulting map of the directions of the electrons far from the sample is called a diffraction pattern, see for instance Figure 1. Beyond patterns showing the directions of electrons, electron diffraction also plays a major role in the contrast of images in electron microscopes.
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.
A crystallite is a small or even microscopic crystal which forms, for example, during the cooling of many materials. Crystallites are also referred to as grains.
A synchrotron light source is a source of electromagnetic radiation (EM) usually produced by a storage ring, for scientific and technical purposes. First observed in synchrotrons, synchrotron light is now produced by storage rings and other specialized particle accelerators, typically accelerating electrons. Once the high-energy electron beam has been generated, it is directed into auxiliary components such as bending magnets and insertion devices in storage rings and free electron lasers. These supply the strong magnetic fields perpendicular to the beam that are needed to stimulate the high energy electrons to emit photons.
In many areas of science, Bragg's law, Wulff–Bragg's condition, or Laue–Bragg interference are a special case of Laue diffraction, giving the angles for coherent scattering of waves from a large crystal lattice. It describes how the superposition of wave fronts scattered by lattice planes leads to a strict relation between the wavelength and scattering angle. This law was initially formulated for X-rays, but it also applies to all types of matter waves including neutron and electron waves if there are a large number of atoms, as well as visible light with artificial periodic microscale lattices.
Reflection high-energy electron diffraction (RHEED) is a technique used to characterize the surface of crystalline materials. RHEED systems gather information only from the surface layer of the sample, which distinguishes RHEED from other materials characterization methods that also rely on diffraction of high-energy electrons. Transmission electron microscopy, another common electron diffraction method samples mainly the bulk of the sample due to the geometry of the system, although in special cases it can provide surface information. Low-energy electron diffraction (LEED) is also surface sensitive, but LEED achieves surface sensitivity through the use of low energy electrons.
The Ewald sphere is a geometric construction used in electron, neutron, and x-ray diffraction which shows the relationship between:
Electron backscatter diffraction (EBSD) is a scanning electron microscopy (SEM) technique used to study the crystallographic structure of materials. EBSD is carried out in a scanning electron microscope equipped with an EBSD detector comprising at least a phosphorescent screen, a compact lens and a low-light camera. In the microscope an incident beam of electrons hits a tilted sample. As backscattered electrons leave the sample, they interact with the atoms and are both elastically diffracted and lose energy, leaving the sample at various scattering angles before reaching the phosphor screen forming Kikuchi patterns (EBSPs). The EBSD spatial resolution depends on many factors, including the nature of the material under study and the sample preparation. They can be indexed to provide information about the material's grain structure, grain orientation, and phase at the micro-scale. EBSD is used for impurities and defect studies, plastic deformation, and statistical analysis for average misorientation, grain size, and crystallographic texture. EBSD can also be combined with energy-dispersive X-ray spectroscopy (EDS), cathodoluminescence (CL), and wavelength-dispersive X-ray spectroscopy (WDS) for advanced phase identification and materials discovery.
Powder diffraction is a scientific technique using X-ray, neutron, or electron diffraction on powder or microcrystalline samples for structural characterization of materials. An instrument dedicated to performing such powder measurements is called a powder diffractometer.
Selected area (electron) diffraction is a crystallographic experimental technique typically performed using a transmission electron microscope (TEM). It is a specific case of electron diffraction used primarily in material science and solid state physics as one of the most common experimental techniques. Especially with appropriate analytical software, SAD patterns (SADP) can be used to determine crystal orientation, measure lattice constants or examine its defects.
David John Hugh Cockayne FRS FInstP was Professor in the physical examination of materials in the Department of Materials at the University of Oxford and professorial fellow at Linacre College from 2000 to 2009. He was the president of the International Federation of Societies for Microscopy from 2003 till 2007, then vice-president 2007 to 2010.
The Reverse Monte Carlo (RMC) modelling method is a variation of the standard Metropolis–Hastings algorithm to solve an inverse problem whereby a model is adjusted until its parameters have the greatest consistency with experimental data. Inverse problems are found in many branches of science and mathematics, but this approach is probably best known for its applications in condensed matter physics and solid state chemistry.
Ptychography is a computational method of microscopic imaging. It generates images by processing many coherent interference patterns that have been scattered from an object of interest. Its defining characteristic is translational invariance, which means that the interference patterns are generated by one constant function moving laterally by a known amount with respect to another constant function. The interference patterns occur some distance away from these two components, so that the scattered waves spread out and "fold" into one another as shown in the figure.
The glass–liquid transition, or glass transition, is the gradual and reversible transition in amorphous materials from a hard and relatively brittle "glassy" state into a viscous or rubbery state as the temperature is increased. An amorphous solid that exhibits a glass transition is called a glass. The reverse transition, achieved by supercooling a viscous liquid into the glass state, is called vitrification.
Molecular models of DNA structures are representations of the molecular geometry and topology of deoxyribonucleic acid (DNA) molecules using one of several means, with the aim of simplifying and presenting the essential, physical and chemical, properties of DNA molecular structures either in vivo or in vitro. These representations include closely packed spheres made of plastic, metal wires for skeletal models, graphic computations and animations by computers, artistic rendering. Computer molecular models also allow animations and molecular dynamics simulations that are very important for understanding how DNA functions in vivo.
Jianwei (John) Miao is a Professor in the Department of Physics and Astronomy and the California NanoSystems Institute at the University of California, Los Angeles. He performed the first experiment on extending crystallography to allow structural determination of non-crystalline specimens in 1999, which has been known as coherent diffractive imaging (CDI), lensless imaging, or computational microscopy. In 2012, Miao applied the CDI method to pioneer atomic electron tomography (AET), enabling the first determination of 3D atomic structures without assuming crystallinity or averaging.
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