FractureFracture is the separation of an object or material into two or more pieces under the action of stress. The fracture of a solid usually occurs due to the development of certain displacement discontinuity surfaces within the solid. If a displacement develops perpendicular to the surface, it is called a normal tensile crack or simply a crack; if a displacement develops tangentially, it is called a shear crack, slip band or dislocation. Brittle fractures occur without any apparent deformation before fracture.
Fracture mechanicsFracture mechanics is the field of mechanics concerned with the study of the propagation of cracks in materials. It uses methods of analytical solid mechanics to calculate the driving force on a crack and those of experimental solid mechanics to characterize the material's resistance to fracture. Theoretically, the stress ahead of a sharp crack tip becomes infinite and cannot be used to describe the state around a crack. Fracture mechanics is used to characterise the loads on a crack, typically using a single parameter to describe the complete loading state at the crack tip.
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.
Grain boundaryIn materials science, a grain boundary is the interface between two grains, or crystallites, in a polycrystalline material. Grain boundaries are two-dimensional defects in the crystal structure, and tend to decrease the electrical and thermal conductivity of the material. Most grain boundaries are preferred sites for the onset of corrosion and for the precipitation of new phases from the solid. They are also important to many of the mechanisms of creep.
Continuum mechanicsContinuum mechanics is a branch of mechanics that deals with the deformation of and transmission of forces through materials modeled as a continuous mass rather than as discrete particles. The French mathematician Augustin-Louis Cauchy was the first to formulate such models in the 19th century. A continuum model assumes that the substance of the object completely fills the space it occupies. This ignores the fact that matter is made of atoms, however provides a sufficiently accurate description of matter on length scales much greater than that of inter-atomic distances.
Abnormal grain growthAbnormal or discontinuous grain growth, also referred to as exaggerated or secondary recrystallisation grain growth, is a grain growth phenomenon through which certain energetically favorable grains (crystallites) grow rapidly in a matrix of finer grains resulting in a bimodal grain size distribution. In ceramic materials this phenomenon can result in the formation of elongated prismatic, acicular (needle-like) grains in a densified matrix with implications for improved fracture toughness through the impedance of crack propagation.
CrystalliteA 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. Bacillite is a type of crystallite. It is rodlike with parallel longulites. The orientation of crystallites can be random with no preferred direction, called random texture, or directed, possibly due to growth and processing conditions.
Plasticity (physics)In physics and materials science, plasticity (also known as plastic deformation) is the ability of a solid material to undergo permanent deformation, a non-reversible change of shape in response to applied forces. For example, a solid piece of metal being bent or pounded into a new shape displays plasticity as permanent changes occur within the material itself. In engineering, the transition from elastic behavior to plastic behavior is known as yielding. Plastic deformation is observed in most materials, particularly metals, soils, rocks, concrete, and foams.
Fracture toughnessIn materials science, fracture toughness is the critical stress intensity factor of a sharp crack where propagation of the crack suddenly becomes rapid and unlimited. A component's thickness affects the constraint conditions at the tip of a crack with thin components having plane stress conditions and thick components having plane strain conditions. Plane strain conditions give the lowest fracture toughness value which is a material property.
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.
