Self-similarityIn mathematics, a self-similar object is exactly or approximately similar to a part of itself (i.e., the whole has the same shape as one or more of the parts). Many objects in the real world, such as coastlines, are statistically self-similar: parts of them show the same statistical properties at many scales. Self-similarity is a typical property of fractals. Scale invariance is an exact form of self-similarity where at any magnification there is a smaller piece of the object that is similar to the whole.
Molecular dynamicsMolecular 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.
Ruled surfaceIn geometry, a surface S is ruled (also called a scroll) if through every point of S there is a straight line that lies on S. Examples include the plane, the lateral surface of a cylinder or cone, a conical surface with elliptical directrix, the right conoid, the helicoid, and the tangent developable of a smooth curve in space. A ruled surface can be described as the set of points swept by a moving straight line. For example, a cone is formed by keeping one point of a line fixed whilst moving another point along a circle.
Molecular modellingMolecular modelling encompasses all methods, theoretical and computational, used to model or mimic the behaviour of molecules. The methods are used in the fields of computational chemistry, drug design, computational biology and materials science to study molecular systems ranging from small chemical systems to large biological molecules and material assemblies. The simplest calculations can be performed by hand, but inevitably computers are required to perform molecular modelling of any reasonably sized system.
Asperity (materials science)In materials science, asperity, defined as "unevenness of surface, roughness, ruggedness" (from the Latin asper—"rough"), has implications (for example) in physics and seismology. Smooth surfaces, even those polished to a mirror finish, are not truly smooth on a microscopic scale. They are rough, with sharp, rough or rugged projections, termed "asperities". Surface asperities exist across multiple scales, often in a self affine or fractal geometry.
Affine transformationIn Euclidean geometry, an affine transformation or affinity (from the Latin, affinis, "connected with") is a geometric transformation that preserves lines and parallelism, but not necessarily Euclidean distances and angles. More generally, an affine transformation is an automorphism of an affine space (Euclidean spaces are specific affine spaces), that is, a function which maps an affine space onto itself while preserving both the dimension of any affine subspaces (meaning that it sends points to points, lines to lines, planes to planes, and so on) and the ratios of the lengths of parallel line segments.
Molecular design softwareMolecular design software is notable software for molecular modeling, that provides special support for developing molecular models de novo. In contrast to the usual molecular modeling programs, such as for molecular dynamics and quantum chemistry, such software directly supports the aspects related to constructing molecular models, including: Molecular graphics interactive molecular drawing and conformational editing building polymeric molecules, crystals, and solvated systems partial charges development g
ShapeA shape or figure is a graphical representation of an object or its external boundary, outline, or external surface, as opposed to other properties such as color, texture, or material type. A plane shape or plane figure is constrained to lie on a plane, in contrast to solid 3D shapes. A two-dimensional shape or two-dimensional figure (also: 2D shape or 2D figure) may lie on a more general curved surface (a non-Euclidean two-dimensional space). Lists of shapes Some simple shapes can be put into broad categories.
Differential geometry of surfacesIn mathematics, the differential geometry of surfaces deals with the differential geometry of smooth surfaces with various additional structures, most often, a Riemannian metric. Surfaces have been extensively studied from various perspectives: extrinsically, relating to their embedding in Euclidean space and intrinsically, reflecting their properties determined solely by the distance within the surface as measured along curves on the surface.
Compression (physics)In mechanics, compression is the application of balanced inward ("pushing") forces to different points on a material or structure, that is, forces with no net sum or torque directed so as to reduce its size in one or more directions. It is contrasted with tension or traction, the application of balanced outward ("pulling") forces; and with shearing forces, directed so as to displace layers of the material parallel to each other. The compressive strength of materials and structures is an important engineering consideration.
