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.
Cube rootIn mathematics, a cube root of a number x is a number y such that y3 = x. All nonzero real numbers, have exactly one real cube root and a pair of complex conjugate cube roots, and all nonzero complex numbers have three distinct complex cube roots. For example, the real cube root of 8, denoted , is 2, because 23 = 8, while the other cube roots of 8 are and .
Square root of 5The square root of 5 is the positive real number that, when multiplied by itself, gives the prime number 5. It is more precisely called the principal square root of 5, to distinguish it from the negative number with the same property. This number appears in the fractional expression for the golden ratio. It can be denoted in surd form as: It is an irrational algebraic number. The first sixty significant digits of its decimal expansion are: 2.23606 79774 99789 69640 91736 68731 27623 54406 18359 61152 57242 7089.
HardnessIn materials science, hardness (antonym: softness) is a measure of the resistance to localized plastic deformation induced by either mechanical indentation or abrasion. In general, different materials differ in their hardness; for example hard metals such as titanium and beryllium are harder than soft metals such as sodium and metallic tin, or wood and common plastics. Macroscopic hardness is generally characterized by strong intermolecular bonds, but the behavior of solid materials under force is complex; therefore, hardness can be measured in different ways, such as scratch hardness, indentation hardness, and rebound hardness.
Single crystalIn materials science, a single crystal (or single-crystal solid or monocrystalline solid) is a material in which the crystal lattice of the entire sample is continuous and unbroken to the edges of the sample, with no grain boundaries. The absence of the defects associated with grain boundaries can give monocrystals unique properties, particularly mechanical, optical and electrical, which can also be anisotropic, depending on the type of crystallographic structure.
Minimal polynomial (field theory)In field theory, a branch of mathematics, the minimal polynomial of an element α of a field extension is, roughly speaking, the polynomial of lowest degree having coefficients in the field, such that α is a root of the polynomial. If the minimal polynomial of α exists, it is unique. The coefficient of the highest-degree term in the polynomial is required to be 1. More formally, a minimal polynomial is defined relative to a field extension E/F and an element of the extension field E/F.
Annealing (materials science)In metallurgy and materials science, annealing is a heat treatment that alters the physical and sometimes chemical properties of a material to increase its ductility and reduce its hardness, making it more workable. It involves heating a material above its recrystallization temperature, maintaining a suitable temperature for an appropriate amount of time and then cooling. In annealing, atoms migrate in the crystal lattice and the number of dislocations decreases, leading to a change in ductility and hardness.
Field extensionIn mathematics, particularly in algebra, a field extension is a pair of fields such that the operations of K are those of L restricted to K. In this case, L is an extension field of K and K is a subfield of L. For example, under the usual notions of addition and multiplication, the complex numbers are an extension field of the real numbers; the real numbers are a subfield of the complex numbers. Field extensions are fundamental in algebraic number theory, and in the study of polynomial roots through Galois theory, and are widely used in algebraic geometry.
Root of unityIn mathematics, a root of unity, occasionally called a de Moivre number, is any complex number that yields 1 when raised to some positive integer power n. Roots of unity are used in many branches of mathematics, and are especially important in number theory, the theory of group characters, and the discrete Fourier transform. Roots of unity can be defined in any field. If the characteristic of the field is zero, the roots are complex numbers that are also algebraic integers.
Burgers vectorIn materials science, the Burgers vector, named after Dutch physicist Jan Burgers, is a vector, often denoted as b, that represents the magnitude and direction of the lattice distortion resulting from a dislocation in a crystal lattice. The vector's magnitude and direction is best understood when the dislocation-bearing crystal structure is first visualized without the dislocation, that is, the perfect crystal structure.
